1-[(3,5-dimethylphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane Formula: C20H25FN2 MolecularWeight: 312.424303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC=C2F)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2F)N3CCCNCC3)C

InChI

InChI=1S/C20H25FN2/c1-15-12-16(2)14-17(13-15)20(18-6-3-4-7-19(18)21)23-10-5-8-22-9-11-23/h3-4,6-7,12-14,20,22H,5,8-11H2,1-2H3