1-[(3-fluoranyl-4-methoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C18H22FN3O MolecularWeight: 315.385183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3)F

InChI

InChI=1S/C18H22FN3O/c1-23-17-7-6-14(13-15(17)19)18(16-5-2-3-9-21-16)22-11-4-8-20-10-12-22/h2-3,5-7,9,13,18,20H,4,8,10-12H2,1H3