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

Systemtic Name: 4-(2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile Openeye Name: 4-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile CAS Name: 4-[2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-(2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile Traditional Name: 4-(2-keto-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)picolinonitrile Formula: C19H13N5O MolecularWeight: 327.33942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5O/c20-12-14-9-13(5-6-21-14)17-11-19(25)23-18-10-15(3-4-16(18)22-17)24-7-1-2-8-24/h1-10H,11H2,(H,23,25)