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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N6O3/c1-5-32-18-20-33(21-19-32)15-9-14-30-27(36)25-22-31-35(24-10-7-6-8-11-24)26(25)23-12-16-34(17-13-23)28(37)38-29(2,3)4/h6-8,10-11,22-23H,5,9,12-21H2,1-4H3,(H,30,36)