1-[[2,4-bis(fluoranyl)phenyl]-(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-difluorophenyl)-(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-difluorophenyl)-(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-difluorophenyl)-(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-difluorophenyl)-(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C18H21F2N3 MolecularWeight: 317.376246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3

InChI

InChI=1S/C18H21F2N3/c1-13-4-2-5-17(22-13)18(23-10-3-8-21-9-11-23)15-7-6-14(19)12-16(15)20/h2,4-7,12,18,21H,3,8-11H2,1H3