tert-butyl 4-[3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxylate CAS Name: 4-[3-[(2-ethyl-6-methylanilino)-oxomethyl]-1-(4-fluorophenyl)-4-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-ethyl-6-methylphenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxylate Traditional Name: 4-[3-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35FN4O3 MolecularWeight: 506.611603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=NN(C=C2C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=NN(C=C2C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C29H35FN4O3/c1-6-20-9-7-8-19(2)25(20)31-27(35)26-24(18-34(32-26)23-12-10-22(30)11-13-23)21-14-16-33(17-15-21)28(36)37-29(3,4)5/h7-13,18,21H,6,14-17H2,1-5H3,(H,31,35)