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

Systemtic Name: 1-[(4-ethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(4-ethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-ethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C21H25F3N2 MolecularWeight: 362.43181

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C21H25F3N2/c1-2-16-4-6-17(7-5-16)20(26-14-3-12-25-13-15-26)18-8-10-19(11-9-18)21(22,23)24/h4-11,20,25H,2-3,12-15H2,1H3