1-[4-(3-cyanophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenyl-pyrrole-3-carbonitrile

Systemtic Name: 1-[4-(3-cyanophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenyl-pyrrole-3-carbonitrile Openeye Name: 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenyl-pyrrole-3-carbonitrile CAS Name: 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenyl-3-pyrrolecarbonitrile IUPAC Name: 1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenylpyrrole-3-carbonitrile Traditional Name: 1-[4-(3-cyanophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-8-yl]-4-phenyl-pyrrole-3-carbonitrile Formula: C27H17N5O MolecularWeight: 427.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H17N5O/c28-14-18-5-4-8-20(11-18)25-13-27(33)31-26-12-22(9-10-24(26)30-25)32-16-21(15-29)23(17-32)19-6-2-1-3-7-19/h1-12,16-17H,13H2,(H,31,33)