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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C22H27F3N2O2 MolecularWeight: 408.45719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O2/c1-3-29-20-15-17(8-9-19(20)28-2)21(27-12-5-10-26-11-13-27)16-6-4-7-18(14-16)22(23,24)25/h4,6-9,14-15,21,26H,3,5,10-13H2,1-2H3