Compound C17H13N3O

1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile

CAS: 3489-59-6

Molecular Formula	`C17H13N3O`
Molecular Weight	275.3 g/mol
LogP	1.8
Topological Polar Surface Area	56.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	275.10587
Heavy Atoms	21
Complexity	484.0

Chemical Identifiers

CAS Number	3489-59-6
SMILES	`CN1C(=O)CN=C(C2=C1C=CC(=C2)C#N)C3=CC=CC=C3`
InChIKey	`PMDUNHOOULGNCQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H13N3O (CAS: 3489-59-6) is a chemical compound with molecular formula C17H13N3O and molecular weight 275.3 g/mol. Its IUPAC systematic name is 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile. LogP 1.8 Topological Polar Surface Area 56.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 275.10587 Heavy Atoms 21 Complexity 484.0 InChI Key: PMDUNHOOULGNCQ-UHFFFAOYSA-N. SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)C#N)C3=CC=CC=C3.

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