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

Systemtic Name: 1-[(4-fluorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-fluorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-fluorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-fluorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[asaryl-(4-fluorophenyl)methyl]-1,4-diazepane Formula: C21H27FN2O3 MolecularWeight: 374.449083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)F)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)F)N3CCCNCC3)OC)OC

InChI

InChI=1S/C21H27FN2O3/c1-25-18-14-20(27-3)19(26-2)13-17(18)21(15-5-7-16(22)8-6-15)24-11-4-9-23-10-12-24/h5-8,13-14,21,23H,4,9-12H2,1-3H3