tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,6-dimethylphenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H41N5O3 MolecularWeight: 543.69964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N5O3/c1-23-10-9-11-24(2)28(23)37-29(25-14-16-36(17-15-25)31(39)40-32(3,4)5)27(22-33-37)30(38)35-20-18-34(19-21-35)26-12-7-6-8-13-26/h6-13,22,25H,14-21H2,1-5H3