ChemDiv1_021499
16-(azepan-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv1_021499|Oprea1_400991|Oprea1_419693|HMS648B05|BAS 00312786|AF-399/09016019|SR-01000433890-1|11-(azepan-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile|11-(1-azepanyl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile|11-(azepan-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile|4-Azepan-1-yl-2,3-dihydro-1H-4a,9-diaza-cyclopenta[b]fluorene-10-carbonitrile|11-(1-AZEPANYL)-2,3-DIHYDRO-1H-CYCLOPENTA[4,5]PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE|11-azaperhydroepinyl-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[1,2-d]p yridine-4-carbonitrile|16-(azepan-1-yl)-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile
| Molecular Formula | C21H22N4 |
|---|---|
| Molecular Weight | 330.18445 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.18445 |
| Monoisotopic Mass | 330.18445 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 305331-72-0 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N |
| InChIKey | POUIOQIDDHSBKX-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021499 (CAS 305331-72-0), with molecular formula C21H22N4 and molecular weight 330.18445 g/mol. IUPAC: 16-(azepan-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.