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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,3-dimethoxyphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,3-dimethoxyphenyl)-(3-fluoro-4-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)C(C2=C(C(=CC=C2)OC)OC)N3CCCNCC3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O3/c1-25-18-9-8-15(14-17(18)22)20(24-12-5-10-23-11-13-24)16-6-4-7-19(26-2)21(16)27-3/h4,6-9,14,20,23H,5,10-13H2,1-3H3