tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(3-piperidin-1-ylpropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(3-piperidin-1-ylpropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-[3-(1-piperidyl)propylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,6-dimethylphenyl)-4-[oxo-[3-(1-piperidinyl)propylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,6-dimethylphenyl)-4-(3-piperidin-1-ylpropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylphenyl)-4-(3-piperidinopropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H45N5O3 MolecularWeight: 523.71

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)NCCCN3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)NCCCN3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H45N5O3/c1-22-11-9-12-23(2)26(22)35-27(24-13-19-34(20-14-24)29(37)38-30(3,4)5)25(21-32-35)28(36)31-15-10-18-33-16-7-6-8-17-33/h9,11-12,21,24H,6-8,10,13-20H2,1-5H3,(H,31,36)