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

Systemtic Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepin-8-yl]pyrrolidine-3-carbonitrile Openeye Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxo-1,5-dihydro-1,5-benzodiazepin-8-yl]pyrrolidine-3-carbonitrile CAS Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxo-1,5-dihydro-1,5-benzodiazepin-8-yl]-3-pyrrolidinecarbonitrile IUPAC Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-oxo-1,5-dihydro-1,5-benzodiazepin-8-yl]pyrrolidine-3-carbonitrile Traditional Name: 4-(2-chlorophenyl)-1-[4-(3-cyanophenyl)-2-keto-1,5-dihydro-1,5-benzodiazepin-8-yl]pyrrolidine-3-carbonitrile Formula: C27H20ClN5O MolecularWeight: 465.9336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=CC3=C(C=C2)NC(=CC(=O)N3)C4=CC=CC(=C4)C#N)C5=CC=CC=C5Cl)C#N

Isomeric SMILES

C1C(C(CN1C2=CC3=C(C=C2)NC(=CC(=O)N3)C4=CC=CC(=C4)C#N)C5=CC=CC=C5Cl)C#N

InChI

InChI=1S/C27H20ClN5O/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/h1-12,19,22,31H,15-16H2,(H,32,34)