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

Systemtic Name: 1,5-dimethyl-4-[[3-(3-methylthiophen-2-yl)carbonylpiperidin-1-yl]methyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[3-(3-methylthiophene-2-carbonyl)-1-piperidyl]methyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperidinyl]methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]methyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[3-(3-methylthiophene-2-carbonyl)piperidino]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)C2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H27N3O2S/c1-16-11-13-29-22(16)21(27)18-8-7-12-25(14-18)15-20-17(2)24(3)26(23(20)28)19-9-5-4-6-10-19/h4-6,9-11,13,18H,7-8,12,14-15H2,1-3H3