3-(2-oxidanylidene-8-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(2-oxidanylidene-8-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(4-pyridyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-(2-oxo-8-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile IUPAC Name: 3-(2-oxo-8-pyridin-4-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-[2-keto-8-(4-pyridyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H14N4O MolecularWeight: 338.36206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=NC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=NC=C3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H14N4O/c22-13-14-2-1-3-17(10-14)19-12-21(26)25-20-11-16(4-5-18(20)24-19)15-6-8-23-9-7-15/h1-11H,12H2,(H,25,26)