7-chloranyl-5-cyclohexyl-1'-(phenylmethyl)spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one

Systemtic Name: 7-chloranyl-5-cyclohexyl-1'-(phenylmethyl)spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 1'-benzyl-7-chloro-5-cyclohexyl-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 7-chloro-5-cyclohexyl-1'-(phenylmethyl)-2-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 1'-benzyl-7-chloro-5-cyclohexylspiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 1'-benzyl-7-chloro-5-cyclohexyl-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C26H30ClN3O MolecularWeight: 435.9889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C=C(C=CC3=NC(=O)C4(N2)CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)C2=C3C=C(C=CC3=NC(=O)C4(N2)CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H30ClN3O/c27-21-11-12-23-22(17-21)24(20-9-5-2-6-10-20)29-26(25(31)28-23)13-15-30(16-14-26)18-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,17,20,29H,2,5-6,9-10,13-16,18H2