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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C20H25FN2O MolecularWeight: 328.423703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O/c1-15-4-6-16(7-5-15)20(23-12-3-10-22-11-13-23)17-8-9-19(24-2)18(21)14-17/h4-9,14,20,22H,3,10-13H2,1-2H3