tert-butyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-(3,4-dimethylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H47N5O3 MolecularWeight: 549.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4CCCCC4)C5CCN(CC5)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C4CCCCC4)C5CCN(CC5)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C32H47N5O3/c1-23-11-12-27(21-24(23)2)37-29(25-13-15-36(16-14-25)31(39)40-32(3,4)5)28(22-33-37)30(38)35-19-17-34(18-20-35)26-9-7-6-8-10-26/h11-12,21-22,25-26H,6-10,13-20H2,1-5H3