(9S)-11-butyl-9-(2-methylpropyl)-3-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-isobutyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-isobutyl-3-[4-(piperidine-1-carbonyl)benzyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C29H45ClN4O3 MolecularWeight: 533.1456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCCC4)CC(C)C.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCCC4)CC(C)C.Cl

InChI

InChI=1S/C29H44N4O3.ClH/c1-4-5-17-33-27(35)25(20-22(2)3)30-28(36)29(33)13-18-31(19-14-29)21-23-9-11-24(12-10-23)26(34)32-15-7-6-8-16-32;/h9-12,22,25H,4-8,13-21H2,1-3H3,(H,30,36);1H/t25-;/m0./s1