cyclobutyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclobutyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclobutyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: cyclobutyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclobutyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclobutyl-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C25H34N4O2 MolecularWeight: 422.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H34N4O2/c1-4-23-22(17-19-9-11-21(31-3)12-10-19)24(27-18(2)26-23)28-13-6-14-29(16-15-28)25(30)20-7-5-8-20/h9-12,20H,4-8,13-17H2,1-3H3