1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Formula: C21H27FN2O2 MolecularWeight: 358.449683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)F)N3CCCNCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)F)N3CCCNCC3)OC

InChI

InChI=1S/C21H27FN2O2/c1-3-26-20-15-17(8-9-19(20)25-2)21(16-6-4-7-18(22)14-16)24-12-5-10-23-11-13-24/h4,6-9,14-15,21,23H,3,5,10-13H2,1-2H3