tert-butyl 4-[2-(4-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[[2-(4-methyl-1-piperazinyl)ethylamino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(4-methylpiperazino)ethylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H42N6O3 MolecularWeight: 510.67148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCN(CC3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCN(CC3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H42N6O3/c1-21-6-8-23(9-7-21)34-25(22-10-13-33(14-11-22)27(36)37-28(2,3)4)24(20-30-34)26(35)29-12-15-32-18-16-31(5)17-19-32/h6-9,20,22H,10-19H2,1-5H3,(H,29,35)