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

Systemtic Name: 5-butyl-7-chloranyl-1'-(phenylmethyl)spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 1'-benzyl-5-butyl-7-chloro-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 5-butyl-7-chloro-1'-(phenylmethyl)-2-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 1'-benzyl-5-butyl-7-chlorospiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 1'-benzyl-5-butyl-7-chloro-spiro[4H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C24H28ClN3O MolecularWeight: 409.95162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C(C=CC2=NC(=O)C3(N1)CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCCCC1=C2C=C(C=CC2=NC(=O)C3(N1)CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H28ClN3O/c1-2-3-9-22-20-16-19(25)10-11-21(20)26-23(29)24(27-22)12-14-28(15-13-24)17-18-7-5-4-6-8-18/h4-8,10-11,16,27H,2-3,9,12-15,17H2,1H3