1-[(3-ethoxy-4-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[2-(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=CC=C2C(F)(F)F)N3CCCNCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3)OC

InChI

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