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

Systemtic Name: 3-[8-[2-(1-oxidanylcyclohexyl)ethynyl]-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-[2-(1-hydroxycyclohexyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-[2-(1-hydroxycyclohexyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-[2-(1-hydroxycyclohexyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-[2-(1-hydroxycyclohexyl)ethynyl]-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C24H21N3O2 MolecularWeight: 383.44244

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2/c25-16-18-5-4-6-19(13-18)21-15-23(28)27-22-14-17(7-8-20(22)26-21)9-12-24(29)10-2-1-3-11-24/h4-8,13-14,29H,1-3,10-11,15H2,(H,27,28)