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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,4-dichlorophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,4-dichlorophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C19H21Cl2FN2O MolecularWeight: 383.287243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2FN2O/c1-25-18-6-4-14(12-17(18)22)19(24-9-2-7-23-8-10-24)13-3-5-15(20)16(21)11-13/h3-6,11-12,19,23H,2,7-10H2,1H3