4-[[(3S)-3-(3-methoxyphenyl)carbonylpiperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[(3S)-3-(3-methoxyphenyl)carbonylpiperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3S)-3-(3-methoxybenzoyl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3S)-3-[(3-methoxyphenyl)-oxomethyl]-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3S)-3-(3-methoxybenzoyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(3S)-3-m-anisoylpiperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCCC(C3)C(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC[C@@H](C3)C(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H29N3O3/c1-18-23(25(30)28(26(18)2)21-11-5-4-6-12-21)17-27-14-8-10-20(16-27)24(29)19-9-7-13-22(15-19)31-3/h4-7,9,11-13,15,20H,8,10,14,16-17H2,1-3H3/t20-/m0/s1