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

Systemtic Name: tert-butyl 4-[2-phenyl-4-[(phenylmethyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[(phenylmethyl)amino]methyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(benzylcarbamoyl)-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(benzylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-27(2,3)34-26(33)30-16-14-21(15-17-30)24-23(19-29-31(24)22-12-8-5-9-13-22)25(32)28-18-20-10-6-4-7-11-20/h4-13,19,21H,14-18H2,1-3H3,(H,28,32)