1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C17H22ClFN4 MolecularWeight: 336.834783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H22ClFN4/c1-21-8-5-20-17(21)13-23-7-2-6-22(9-10-23)12-14-3-4-16(19)15(18)11-14/h3-5,8,11H,2,6-7,9-10,12-13H2,1H3