3-(7-chloranyl-2-oxidanylidene-8-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(7-chloranyl-2-oxidanylidene-8-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-(7-chloro-2-oxo-8-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile CAS Name: 3-(7-chloro-2-oxo-8-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile IUPAC Name: 3-(7-chloro-2-oxo-8-phenyl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-(7-chloro-2-keto-8-phenyl-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)Cl)C3=CC=CC=C3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

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