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

Systemtic Name: 3-[8-[2-(cyclohexen-1-yl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(cyclohexen-1-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(1-cyclohexenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(cyclohexen-1-yl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(cyclohexen-1-yl)ethynyl]-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H19N3O MolecularWeight: 365.42716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(=CC1)C#CC2=CC3=C(C=C2)N=C(CC(=O)N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H19N3O/c25-16-19-7-4-8-20(13-19)22-15-24(28)27-23-14-18(11-12-21(23)26-22)10-9-17-5-2-1-3-6-17/h4-5,7-8,11-14H,1-3,6,15H2,(H,27,28)