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

Systemtic Name: 3-[8-[2-(2-chlorophenyl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(2-chlorophenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(2-chlorophenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(2-chlorophenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(2-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=CC=C3Cl)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=C3Cl)NC1=O)C4=CC=CC(=C4)C#N

InChI

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