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

Systemtic Name: 2-ethyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Formula: C27H39FN4O MolecularWeight: 454.623163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)CC)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC(=CC=C3)F)CC)C

InChI

InChI=1S/C27H39FN4O/c1-5-8-12-22(6-2)27(33)32-15-10-14-31(16-17-32)26-24(25(7-3)29-20(4)30-26)19-21-11-9-13-23(28)18-21/h9,11,13,18,22H,5-8,10,12,14-17,19H2,1-4H3