3-(7-methoxy-2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(7-methoxy-2-oxidanylidene-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-(7-methoxy-2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile CAS Name: 3-[7-methoxy-2-oxo-8-(1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-(7-methoxy-2-oxo-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-(2-keto-7-methoxy-8-pyrrol-1-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(CC(=O)N2)C3=CC=CC(=C3)C#N)N4C=CC=C4

InChI

InChI=1S/C21H16N4O2/c1-27-20-11-18-17(10-19(20)25-7-2-3-8-25)24-21(26)12-16(23-18)15-6-4-5-14(9-15)13-22/h2-11H,12H2,1H3,(H,24,26)