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

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[(4-methoxyanilino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31ClN4O4 MolecularWeight: 511.01244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31ClN4O4/c1-27(2,3)36-26(34)31-15-13-18(14-16-31)24-23(17-29-32(24)21-9-5-19(28)6-10-21)25(33)30-20-7-11-22(35-4)12-8-20/h5-12,17-18H,13-16H2,1-4H3,(H,30,33)