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

Systemtic Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-3-carbonitrile Openeye Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-3-carbonitrile CAS Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]-3-pyrrolecarbonitrile IUPAC Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-3-carbonitrile Traditional Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-8-yl]pyrrole-3-carbonitrile Formula: C27H16ClN5O MolecularWeight: 461.90184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)N3C=C(C(=C3)C4=CC=CC=C4Cl)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=C4Cl)C#N)NC1=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H16ClN5O/c28-23-7-2-1-6-21(23)22-16-33(15-19(22)14-30)20-8-9-24-26(11-20)32-27(34)12-25(31-24)18-5-3-4-17(10-18)13-29/h1-11,15-16H,12H2,(H,32,34)