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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H27FN2O MolecularWeight: 342.450283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C=C2)OC)F)N3CCCNCC3)C

InChI

InChI=1S/C21H27FN2O/c1-15-11-16(2)13-18(12-15)21(24-9-4-7-23-8-10-24)17-5-6-20(25-3)19(22)14-17/h5-6,11-14,21,23H,4,7-10H2,1-3H3