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

Systemtic Name: tert-butyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-(3-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H45N5O3 MolecularWeight: 535.7207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N5O3/c1-23-9-8-12-26(21-23)36-28(24-13-15-35(16-14-24)30(38)39-31(2,3)4)27(22-32-36)29(37)34-19-17-33(18-20-34)25-10-6-5-7-11-25/h8-9,12,21-22,24-25H,5-7,10-11,13-20H2,1-4H3