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

Systemtic Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-phenoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C25H25F3N2O MolecularWeight: 426.47401

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25F3N2O/c26-25(27,28)21-9-4-7-19(17-21)24(30-15-6-13-29-14-16-30)20-8-5-12-23(18-20)31-22-10-2-1-3-11-22/h1-5,7-12,17-18,24,29H,6,13-16H2