ethyl 2-[1-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: ethyl 2-[1-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: ethyl 2-[1-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]-4-piperidyl]acetic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-3-32-24(30)17-20-13-15-28(16-14-20)26(31)23-18-29(22-7-5-4-6-8-22)27-25(23)21-11-9-19(2)10-12-21/h4-12,18,20H,3,13-17H2,1-2H3