1-[(3,4-dimethoxyphenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,4-dimethoxyphenyl)-(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,4-dimethoxyphenyl)-(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H27FN2O3 MolecularWeight: 374.449083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O3/c1-25-18-8-6-16(22)14-17(18)21(24-11-4-9-23-10-12-24)15-5-7-19(26-2)20(13-15)27-3/h5-8,13-14,21,23H,4,9-12H2,1-3H3