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

Systemtic Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-phenoxyphenyl)-[2-(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)OC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

InChI

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