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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-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=CN=CC=C2)N3CCCNCC3)F

Isomeric SMILES

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

InChI

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