tert-butyl 4-[2-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-benzylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-benzylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-benzylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H41N5O4 MolecularWeight: 559.69904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H41N5O4/c1-32(2,3)41-31(39)36-16-14-25(15-17-36)29-28(22-33-37(29)26-10-12-27(40-4)13-11-26)30(38)35-20-18-34(19-21-35)23-24-8-6-5-7-9-24/h5-13,22,25H,14-21,23H2,1-4H3