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

Systemtic Name: tert-butyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-(4-methoxyphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H45N5O4 MolecularWeight: 551.7201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N5O4/c1-31(2,3)40-30(38)35-16-14-23(15-17-35)28-27(22-32-36(28)25-10-12-26(39-4)13-11-25)29(37)34-20-18-33(19-21-34)24-8-6-5-7-9-24/h10-13,22-24H,5-9,14-21H2,1-4H3