1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-N-(3-methylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-N-(3-methylbutyl)piperidine-4-carboxamide Openeye Name: 1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-N-isopentyl-piperidine-4-carboxamide CAS Name: 1-[[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-N-(3-methylbutyl)-4-piperidinecarboxamide IUPAC Name: 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]-N-(3-methylbutyl)piperidine-4-carboxamide Traditional Name: 1-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]-N-isoamyl-isonipecotamide Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)NCCC(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)N3CCC(CC3)C(=O)NCCC(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H36N4O2/c1-20(2)12-15-30-28(34)23-13-16-32(17-14-23)29(35)26-19-33(24-8-6-5-7-9-24)31-27(26)25-11-10-21(3)18-22(25)4/h5-11,18-20,23H,12-17H2,1-4H3,(H,30,34)