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

Systemtic Name: tert-butyl 4-[2-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-benzylpiperazine-1-carbonyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-methylphenyl)-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-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-benzylpiperazine-1-carbonyl)-2-(m-tolyl)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=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N5O3/c1-24-9-8-12-27(21-24)37-29(26-13-15-36(16-14-26)31(39)40-32(2,3)4)28(22-33-37)30(38)35-19-17-34(18-20-35)23-25-10-6-5-7-11-25/h5-12,21-22,26H,13-20,23H2,1-4H3