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

Systemtic Name: tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(1-ethoxycarbonyl-4-piperidyl)carbamoyl]-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(1-ethoxycarbonyl-4-piperidinyl)amino]-oxomethyl]-2-(3-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(1-carbethoxy-4-piperidyl)carbamoyl]-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H41N5O5 MolecularWeight: 539.66634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41N5O5/c1-6-38-27(36)32-16-12-22(13-17-32)31-26(35)24-19-30-34(23-9-7-8-20(2)18-23)25(24)21-10-14-33(15-11-21)28(37)39-29(3,4)5/h7-9,18-19,21-22H,6,10-17H2,1-5H3,(H,31,35)