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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29FN2O4 MolecularWeight: 404.475063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O4/c1-26-18-7-6-15(12-17(18)23)21(25-10-5-8-24-9-11-25)16-13-19(27-2)22(29-4)20(14-16)28-3/h6-7,12-14,21,24H,5,8-11H2,1-4H3