N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3-pyrazol-1-yl-benzamide

Systemtic Name: N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3-pyrazol-1-yl-benzamide Openeye Name: N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3-pyrazol-1-yl-benzamide CAS Name: N-[[(3R)-8-(3-methyl-1-oxobutyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-[[(3R)-8-(3-methylbutanoyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3-pyrazol-1-ylbenzamide Traditional Name: N-[[(3R)-8-isovaleryl-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-3-pyrazol-1-yl-benzamide Formula: C24H32N4O3 MolecularWeight: 424.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2(CCC(O2)CNC(=O)C3=CC(=CC=C3)N4C=CC=N4)CC1

Isomeric SMILES

CC(C)CC(=O)N1CCC2(CC[C@@H](O2)CNC(=O)C3=CC(=CC=C3)N4C=CC=N4)CC1

InChI

InChI=1S/C24H32N4O3/c1-18(2)15-22(29)27-13-9-24(10-14-27)8-7-21(31-24)17-25-23(30)19-5-3-6-20(16-19)28-12-4-11-26-28/h3-6,11-12,16,18,21H,7-10,13-15,17H2,1-2H3,(H,25,30)/t21-/m1/s1