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

Systemtic Name: tert-butyl 4-[4-[(2-chloranyl-4-methyl-phenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-chloro-4-methyl-phenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-chloro-4-methylanilino)-oxomethyl]-2-(4-methoxyphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-chloro-4-methylphenyl)carbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(2-chloro-4-methyl-phenyl)carbamoyl]-2-(4-methoxyphenyl)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=CC(=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)OC)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)OC)C4CCN(CC4)C(=O)OC(C)(C)C)Cl

InChI

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