RefChem:1050053

phenyl(3,10,13-triazatetracyclo[11.2.2.02,12.04,9]heptadeca-4,6,8-trien-10-yl)methanone

Also Known As: Oprea1_610890|OPWYHABVMQCCBC-UHFFFAOYSA-|KST-1B8128|1,4-Ethano-1H-pyrido[3,2-b][1,5]benzodiazepine, 10-benzoyl-2,3,4,4a,5,10,11,11a-octahydro-|AG-205/37199031|10-Benzoyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine|3,3'-bis-hydroxymethyl-1,1'-methanediyl-bis-imidazolidin-2-one|1,4-Ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine, 2,3,4,4a,5,10,11,11a-octahydro-10-benzoyl-|2,3,4,4a,5,10,11,11a-Octahydro-10-benzoyl-1,4-ethano-1H-pyrido(3,2-b)(1,5)benzodiazepine|(3,4,4a,5,11,11a-Hexahydro-1,4-ethanopyrido(3,2-b)(1,5)benzodiazepin-10(2H)-yl)(phenyl)methanone|(3,4,4a,5,11,11a-Hexahydro-1,4-ethanopyrido[3,2-b][1,5]benzodiazepin-10(2H)-yl)(phenyl)methanone|10-benzoyl-2,3,4,4a,5,10,11,11a-octahydro-1,4-ethano-benzo[b]pyrido[3,2-e][1,4]diazepine|Methanone,(1,2,3,4,4a,5,11,11a-octahydro-1,4-ethano-10H-pyrido[3,2-b][1,5]benzodiazepin-10-yl)phenyl-

Molecular Formula	C21H23N3O
Molecular Weight	333.1841 g/mol
LogP	3.4
Topological Polar Surface Area	35.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	333.1841
Monoisotopic Mass	333.1841
Heavy Atoms	25
Complexity	495.0

Chemical Identifiers

CAS Number	7256-35-1
SMILES	C1CN2CCC1C3C2CN(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5
InChIKey	OPWYHABVMQCCBC-UHFFFAOYSA-N