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

Systemtic Name: tert-butyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-(4-ethyl-1-piperazinyl)propylamino]-oxomethyl]-2-(4-methoxyphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(4-ethylpiperazin-1-yl)propylcarbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(4-ethylpiperazino)propylcarbamoyl]-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H46N6O4 MolecularWeight: 554.72404

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)OC)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H46N6O4/c1-6-33-18-20-34(21-19-33)15-7-14-31-28(37)26-22-32-36(24-8-10-25(39-5)11-9-24)27(26)23-12-16-35(17-13-23)29(38)40-30(2,3)4/h8-11,22-23H,6-7,12-21H2,1-5H3,(H,31,37)