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

Systemtic Name: 3-[8-(3,4-dichlorophenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(3,4-dichlorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(3,4-dichlorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(3,4-dichlorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(3,4-dichlorophenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C22H13Cl2N3O MolecularWeight: 406.26412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13Cl2N3O/c23-17-6-4-14(9-18(17)24)15-5-7-19-21(10-15)27-22(28)11-20(26-19)16-3-1-2-13(8-16)12-25/h1-10H,11H2,(H,27,28)