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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-[(1-ethoxycarbonyl-4-piperidyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[[(1-ethoxycarbonyl-4-piperidinyl)amino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(1-carbethoxy-4-piperidyl)carbamoyl]-2-(3-chloro-2-methyl-phenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H40ClN5O5 MolecularWeight: 574.1114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40ClN5O5/c1-6-39-27(37)33-16-12-21(13-17-33)32-26(36)22-18-31-35(24-9-7-8-23(30)19(24)2)25(22)20-10-14-34(15-11-20)28(38)40-29(3,4)5/h7-9,18,20-21H,6,10-17H2,1-5H3,(H,32,36)