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

Systemtic Name: tert-butyl 4-[3-[(4-fluorophenyl)carbamoyl]-1-(2-methoxyphenyl)pyrazol-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-fluorophenyl)carbamoyl]-1-(2-methoxyphenyl)pyrazol-4-yl]piperidine-1-carboxylate CAS Name: 4-[3-[(4-fluoroanilino)-oxomethyl]-1-(2-methoxyphenyl)-4-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-fluorophenyl)carbamoyl]-1-(2-methoxyphenyl)pyrazol-4-yl]piperidine-1-carboxylate Traditional Name: 4-[3-[(4-fluorophenyl)carbamoyl]-1-(2-methoxyphenyl)pyrazol-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31FN4O4 MolecularWeight: 494.557843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(N=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(N=C2C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4OC

InChI

InChI=1S/C27H31FN4O4/c1-27(2,3)36-26(34)31-15-13-18(14-16-31)21-17-32(22-7-5-6-8-23(22)35-4)30-24(21)25(33)29-20-11-9-19(28)10-12-20/h5-12,17-18H,13-16H2,1-4H3,(H,29,33)