N-[4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]butyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]butyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]butyl]-4-fluoro-benzamide CAS Name: N-[4-[4-(2-tert-butyl-6-cyclobutyl-4-pyrimidinyl)-1-piperazinyl]butyl]-4-fluorobenzamide IUPAC Name: N-[4-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-fluorobenzamide Traditional Name: N-[4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazino]butyl]-4-fluoro-benzamide Formula: C27H38FN5O MolecularWeight: 467.621923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)F)C4CCC4

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)F)C4CCC4

InChI

InChI=1S/C27H38FN5O/c1-27(2,3)26-30-23(20-7-6-8-20)19-24(31-26)33-17-15-32(16-18-33)14-5-4-13-29-25(34)21-9-11-22(28)12-10-21/h9-12,19-20H,4-8,13-18H2,1-3H3,(H,29,34)