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

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-4-(4-cyclohexylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H42ClN5O3 MolecularWeight: 556.13918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C30H42ClN5O3/c1-30(2,3)39-29(38)35-14-12-22(13-15-35)27-26(21-32-36(27)25-11-7-8-23(31)20-25)28(37)34-18-16-33(17-19-34)24-9-5-4-6-10-24/h7-8,11,20-22,24H,4-6,9-10,12-19H2,1-3H3