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

Systemtic Name: tert-butyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]-2-(4-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-(4-ethyl-1-piperazinyl)propylamino]-oxomethyl]-2-(4-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]-2-(4-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(4-ethylpiperazino)propylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H46N6O3 MolecularWeight: 538.72464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1CCN(CC1)CCCNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H46N6O3/c1-6-33-18-20-34(21-19-33)15-7-14-31-28(37)26-22-32-36(25-10-8-23(2)9-11-25)27(26)24-12-16-35(17-13-24)29(38)39-30(3,4)5/h8-11,22,24H,6-7,12-21H2,1-5H3,(H,31,37)