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

Systemtic Name: tert-butyl 4-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(4-methylpiperazino)propylcarbamoyl]-2-phenyl-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:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCCCN4CCN(CC4)C

InChI

InChI=1S/C28H42N6O3/c1-28(2,3)37-27(36)33-15-11-22(12-16-33)25-24(21-30-34(25)23-9-6-5-7-10-23)26(35)29-13-8-14-32-19-17-31(4)18-20-32/h5-7,9-10,21-22H,8,11-20H2,1-4H3,(H,29,35)