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

Systemtic Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(2-morpholin-4-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(2-morpholinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,4-dimethylphenyl)-4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(2-morpholin-4-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,4-dimethylphenyl)-4-(2-morpholinoethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H41N5O4 MolecularWeight: 511.65624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCOCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)NCCN3CCOCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H41N5O4/c1-20-6-7-24(21(2)18-20)33-25(22-8-11-32(12-9-22)27(35)37-28(3,4)5)23(19-30-33)26(34)29-10-13-31-14-16-36-17-15-31/h6-7,18-19,22H,8-17H2,1-5H3,(H,29,34)