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

Systemtic Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-phenoxyphenyl)-[4-(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=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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