N-butyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-butyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C24H34FN5O MolecularWeight: 427.558063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34FN5O/c1-4-6-11-26-24(31)30-13-8-12-29(14-15-30)23-21(22(5-2)27-18(3)28-23)17-19-9-7-10-20(25)16-19/h7,9-10,16H,4-6,8,11-15,17H2,1-3H3,(H,26,31)