4-[[(9R)-11-butyl-9-[(1R)-2-methyl-1-oxidanyl-propyl]-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-2,6-dimethyl-benzamide

Systemtic Name: 4-[[(9R)-11-butyl-9-[(1R)-2-methyl-1-oxidanyl-propyl]-7,10-bis(oxidanylidene)-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-2,6-dimethyl-benzamide Openeye Name: 4-[[(9R)-11-butyl-9-[(1R)-1-hydroxy-2-methyl-propyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-2,6-dimethyl-benzamide CAS Name: 4-[[(9R)-11-butyl-9-[(1R)-1-hydroxy-2-methylpropyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-2,6-dimethylbenzamide IUPAC Name: 4-[[(9R)-11-butyl-9-[(1R)-1-hydroxy-2-methylpropyl]-7,10-dioxo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-2,6-dimethylbenzamide Traditional Name: 4-[[(9R)-11-butyl-9-[(1R)-1-hydroxy-2-methyl-propyl]-7,10-diketo-3,8,11-triazaspiro[5.5]undecan-3-yl]-(1H-pyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-2,6-dimethyl-benzamide Formula: C31H46N6O5 MolecularWeight: 582.73414

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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)NCCO)C)C4=CNN=C4)C(C(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C31H46N6O5/c1-6-7-11-37-29(41)25(27(39)19(2)3)35-30(42)31(37)8-12-36(13-9-31)26(23-17-33-34-18-23)22-15-20(4)24(21(5)16-22)28(40)32-10-14-38/h15-19,25-27,38-39H,6-14H2,1-5H3,(H,32,40)(H,33,34)(H,35,42)/t25-,26?,27-/m1/s1