1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane Formula: C18H23FN4 MolecularWeight: 314.400423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCNCC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCNCC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H23FN4/c1-13-17(12-15-5-3-6-16(19)11-15)18(22-14(2)21-13)23-9-4-7-20-8-10-23/h3,5-6,11,20H,4,7-10,12H2,1-2H3