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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N2O2/c1-3-29-20-15-17(7-10-19(20)28-2)21(27-13-4-11-26-12-14-27)16-5-8-18(9-6-16)22(23,24)25/h5-10,15,21,26H,3-4,11-14H2,1-2H3