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

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-butan-1-one Formula: C29H35FN4O MolecularWeight: 474.612803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35FN4O/c1-4-25(23-12-7-6-8-13-23)29(35)34-16-10-15-33(17-18-34)28-26(27(5-2)31-21(3)32-28)20-22-11-9-14-24(30)19-22/h6-9,11-14,19,25H,4-5,10,15-18,20H2,1-3H3