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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O2/c1-3-29-19-9-8-17(15-20(19)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