methyl 1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[5-methyl-1-(o-tolyl)pyrazole-4-carbonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[5-methyl-1-(2-methylphenyl)-4-pyrazolyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[5-methyl-1-(o-tolyl)pyrazole-4-carbonyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C25H27N3O3/c1-18-9-7-8-12-22(18)28-19(2)21(17-26-28)23(29)27-15-13-25(14-16-27,24(30)31-3)20-10-5-4-6-11-20/h4-12,17H,13-16H2,1-3H3