[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C26H29FN4O MolecularWeight: 432.533063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H29FN4O/c1-3-24-23(18-20-9-7-12-22(27)17-20)25(29-19(2)28-24)30-13-8-14-31(16-15-30)26(32)21-10-5-4-6-11-21/h4-7,9-12,17H,3,8,13-16,18H2,1-2H3