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

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-decanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]decan-1-one Formula: C29H43FN4O MolecularWeight: 482.676323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43FN4O/c1-4-6-7-8-9-10-11-16-28(35)33-17-13-18-34(20-19-33)29-26(27(5-2)31-23(3)32-29)22-24-14-12-15-25(30)21-24/h12,14-15,21H,4-11,13,16-20,22H2,1-3H3