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

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(4-methylpiperazino)propylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H44N6O3 MolecularWeight: 524.69806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCN(CC3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCN(CC3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H44N6O3/c1-22-7-9-24(10-8-22)35-26(23-11-15-34(16-12-23)28(37)38-29(2,3)4)25(21-31-35)27(36)30-13-6-14-33-19-17-32(5)18-20-33/h7-10,21,23H,6,11-20H2,1-5H3,(H,30,36)