3-cyclopentyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C27H37FN4O MolecularWeight: 452.607283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3CCCC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3CCCC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H37FN4O/c1-3-25-24(19-22-10-6-11-23(28)18-22)27(30-20(2)29-25)32-15-7-14-31(16-17-32)26(33)13-12-21-8-4-5-9-21/h6,10-11,18,21H,3-5,7-9,12-17,19H2,1-2H3