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

Systemtic Name: 3-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile CAS Name: 3-[2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-(2-keto-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Formula: C20H14N4O MolecularWeight: 326.35136

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H14N4O/c21-13-14-4-3-5-15(10-14)18-12-20(25)23-19-11-16(6-7-17(19)22-18)24-8-1-2-9-24/h1-11H,12H2,(H,23,25)