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

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(2-morpholin-4-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(2-morpholinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(2-morpholin-4-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-4-(2-morpholinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H36ClN5O4 MolecularWeight: 518.04814

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)NCCN4CCOCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C26H36ClN5O4/c1-26(2,3)36-25(34)31-10-7-19(8-11-31)23-22(18-29-32(23)21-6-4-5-20(27)17-21)24(33)28-9-12-30-13-15-35-16-14-30/h4-6,17-19H,7-16H2,1-3H3,(H,28,33)