4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N,N,2,6-tetramethyl-benzamide

Systemtic Name: 4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N,N,2,6-tetramethyl-benzamide Openeye Name: 4-[[(9S)-11-butyl-9-isobutyl-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N,N,2,6-tetramethyl-benzamide CAS Name: 4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N,N,2,6-tetramethylbenzamide IUPAC Name: 4-[[(9S)-11-butyl-9-(2-methylpropyl)-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N,N,2,6-tetramethylbenzamide Traditional Name: 4-[[(9S)-11-butyl-9-isobutyl-7,10-diketo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N,N,2,6-tetramethyl-benzamide Formula: C31H46N6O3 MolecularWeight: 550.73534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(C3=CC(=C(C(=C3)C)C(=O)N(C)C)C)C4=CNN=C4)CC(C)C

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC(=O)C12CCN(CC2)C(C3=CC(=C(C(=C3)C)C(=O)N(C)C)C)C4=CNN=C4)CC(C)C

InChI

InChI=1S/C31H46N6O3/c1-8-9-12-37-28(38)25(15-20(2)3)34-30(40)31(37)10-13-36(14-11-31)27(24-18-32-33-19-24)23-16-21(4)26(22(5)17-23)29(39)35(6)7/h16-20,25,27H,8-15H2,1-7H3,(H,32,33)(H,34,40)/t25-,27?/m0/s1