1-[(2,6-dimethoxyphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,6-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(=CC=C1)OC)C(C2=CC(=C(C=C2)OC)F)N3CCCNCC3

Isomeric SMILES

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

InChI

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