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

Systemtic Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-11-butyl-9-isobutyl-3-[[4-(pyrrolidine-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-pyrrolidinyl)methyl]phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-11-butyl-9-(2-methylpropyl)-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-11-butyl-9-isobutyl-3-[4-(pyrrolidine-1-carbonyl)benzyl]-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C28H43ClN4O3 MolecularWeight: 519.11902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCC4)CC(C)C.Cl

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCC4)CC(C)C.Cl

InChI

InChI=1S/C28H42N4O3.ClH/c1-4-5-16-32-26(34)24(19-21(2)3)29-27(35)28(32)12-17-30(18-13-28)20-22-8-10-23(11-9-22)25(33)31-14-6-7-15-31;/h8-11,21,24H,4-7,12-20H2,1-3H3,(H,29,35);1H/t24-;/m0./s1