(9S)-3-[cyclohexyl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-(2-methylpropyl)-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride

Systemtic Name: (9S)-3-[cyclohexyl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-(2-methylpropyl)-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Openeye Name: (9S)-3-[cyclohexyl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-isobutyl-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride CAS Name: (9S)-3-[cyclohexyl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-(2-methylpropyl)-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride IUPAC Name: (9S)-3-[cyclohexyl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-(2-methylpropyl)-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-dione hydrochloride Traditional Name: (9S)-3-[cyclohexyl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-9-isobutyl-11-propyl-3,8,11-triazaspiro[5.5]undecane-7,10-quinone hydrochloride Formula: C27H46ClN5O2 MolecularWeight: 508.13944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(NC(=O)C12CCN(CC2)C(C3CCCCC3)C4=C(NN=C4C)C)CC(C)C.Cl

Isomeric SMILES

CCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)C(C3CCCCC3)C4=C(NN=C4C)C)CC(C)C.Cl

InChI

InChI=1S/C27H45N5O2.ClH/c1-6-14-32-25(33)22(17-18(2)3)28-26(34)27(32)12-15-31(16-13-27)24(21-10-8-7-9-11-21)23-19(4)29-30-20(23)5;/h18,21-22,24H,6-17H2,1-5H3,(H,28,34)(H,29,30);1H/t22-,24?;/m0./s1