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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-4-methyl-phenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-4-methyl-phenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-4-methylphenyl)-4-[(4-methoxyanilino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-4-methylphenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-4-methyl-phenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33ClN4O4 MolecularWeight: 525.03902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)OC)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)OC)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C28H33ClN4O4/c1-18-6-9-21(16-24(18)29)33-25(19-12-14-32(15-13-19)27(35)37-28(2,3)4)23(17-30-33)26(34)31-20-7-10-22(36-5)11-8-20/h6-11,16-17,19H,12-15H2,1-5H3,(H,31,34)