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

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34ClN5O3 MolecularWeight: 488.02216

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN5O3/c1-25(2,3)34-24(33)30-10-8-18(9-11-30)22-21(23(32)29-14-12-28(4)13-15-29)17-27-31(22)20-7-5-6-19(26)16-20/h5-7,16-18H,8-15H2,1-4H3