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

Systemtic Name: 7-chloranyl-1'-(phenylmethyl)-5-thiophen-2-yl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 1'-benzyl-7-chloro-5-(2-thienyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 7-chloro-1'-(phenylmethyl)-5-thiophen-2-yl-2-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 1'-benzyl-7-chloro-5-thiophen-2-ylspiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 1'-benzyl-7-chloro-5-(2-thienyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C24H22ClN3OS MolecularWeight: 435.96898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H22ClN3OS/c25-18-8-9-20-19(15-18)22(21-7-4-14-30-21)27-24(23(29)26-20)10-12-28(13-11-24)16-17-5-2-1-3-6-17/h1-9,14-15H,10-13,16H2,(H,26,29)