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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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