ethyl 1-(3-cyclopropyl-5-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-cyclopropyl-5-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-cyclopropyl-5-methyl-1-phenyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(3-cyclopropyl-5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyclopropyl-5-methyl-1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-cyclopropyl-5-methyl-1-phenyl-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=C2C3CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C3CC3)C4=CC=CC=C4)C

InChI

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