tert-butyl 4-[2-(4-methylphenyl)-4-(3-phenylpyrrolidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(3-phenylpyrrolidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-phenylpyrrolidine-1-carbonyl)-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-(3-phenyl-1-pyrrolidinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-phenylpyrrolidine-1-carbonyl)-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCC(C3)C4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCC(C3)C4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H38N4O3/c1-22-10-12-26(13-11-22)35-28(24-14-17-33(18-15-24)30(37)38-31(2,3)4)27(20-32-35)29(36)34-19-16-25(21-34)23-8-6-5-7-9-23/h5-13,20,24-25H,14-19,21H2,1-4H3