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

Systemtic Name: 3-[8-(2-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(2-chlorophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C22H14ClN3O MolecularWeight: 371.81906

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=C3Cl)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=C3Cl)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H14ClN3O/c23-18-7-2-1-6-17(18)15-8-9-19-21(11-15)26-22(27)12-20(25-19)16-5-3-4-14(10-16)13-24/h1-11H,12H2,(H,26,27)