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

Systemtic Name: tert-butyl 4-[1-(3-ethylphenyl)-3-[(4-fluorophenyl)carbamoyl]pyrazol-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-ethylphenyl)-3-[(4-fluorophenyl)carbamoyl]pyrazol-4-yl]piperidine-1-carboxylate CAS Name: 4-[1-(3-ethylphenyl)-3-[(4-fluoroanilino)-oxomethyl]-4-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-ethylphenyl)-3-[(4-fluorophenyl)carbamoyl]pyrazol-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(3-ethylphenyl)-3-[(4-fluorophenyl)carbamoyl]pyrazol-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33FN4O3 MolecularWeight: 492.585023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)N2C=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H33FN4O3/c1-5-19-7-6-8-23(17-19)33-18-24(20-13-15-32(16-14-20)27(35)36-28(2,3)4)25(31-33)26(34)30-22-11-9-21(29)10-12-22/h6-12,17-18,20H,5,13-16H2,1-4H3,(H,30,34)