ethyl 1-[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-cyclopropyl-1-(o-tolyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-cyclopropyl-1-(2-methylphenyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-cyclopropyl-1-(o-tolyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3C)C4CC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3C)C4CC4

InChI

InChI=1S/C22H27N3O3/c1-3-28-22(27)17-8-6-12-24(14-17)21(26)18-13-23-25(20(18)16-10-11-16)19-9-5-4-7-15(19)2/h4-5,7,9,13,16-17H,3,6,8,10-12,14H2,1-2H3