N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C23H33N5O MolecularWeight: 395.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)N2CCN(CC2)C3=NC=CC=N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)N2CCN(CC2)C3=NC=CC=N3)C)C(C)(C)C

InChI

InChI=1S/C23H33N5O/c1-17-15-19(23(3,4)5)16-18(2)20(17)7-10-26-22(29)28-13-11-27(12-14-28)21-24-8-6-9-25-21/h6,8-9,15-16H,7,10-14H2,1-5H3,(H,26,29)