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

Systemtic Name: 3-[2-oxidanylidene-8-(3-phenylpyrrol-1-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(3-phenylpyrrol-1-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-(3-phenyl-1-pyrrolyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-(3-phenylpyrrol-1-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(3-phenylpyrrol-1-yl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C26H18N4O MolecularWeight: 402.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=CC(=C3)C4=CC=CC=C4)NC1=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)N3C=CC(=C3)C4=CC=CC=C4)NC1=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H18N4O/c27-16-18-5-4-8-20(13-18)24-15-26(31)29-25-14-22(9-10-23(25)28-24)30-12-11-21(17-30)19-6-2-1-3-7-19/h1-14,17H,15H2,(H,29,31)