ethyl 1-[5-methyl-3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-methyl-3-(2-methylpropyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-isobutyl-5-methyl-1-phenyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[[5-methyl-3-(2-methylpropyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-3-(2-methylpropyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-(3-isobutyl-5-methyl-1-phenyl-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O3/c1-5-29-23(28)18-10-9-13-25(15-18)22(27)21-17(4)26(19-11-7-6-8-12-19)24-20(21)14-16(2)3/h6-8,11-12,16,18H,5,9-10,13-15H2,1-4H3