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

Systemtic Name: 3-[8-[2-(4-chlorophenyl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(4-chlorophenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(4-chlorophenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(4-chlorophenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(4-chlorophenyl)ethynyl]-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H14ClN3O MolecularWeight: 395.84046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)Cl)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)Cl)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H14ClN3O/c25-20-9-6-16(7-10-20)4-5-17-8-11-21-23(13-17)28-24(29)14-22(27-21)19-3-1-2-18(12-19)15-26/h1-3,6-13H,14H2,(H,28,29)