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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O2/c22-11-14-2-1-3-16(8-14)19-10-21(27)24-20-9-17(4-5-18(20)23-19)25-7-6-15(12-25)13-26/h1-9,12,26H,10,13H2,(H,24,27)