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

Systemtic Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane Openeye Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane CAS Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-methyl-1,4-diazepane Traditional Name: 1-[2,4-bis(trifluoromethyl)benzyl]-4-methyl-1,4-diazepane Formula: C15H18F6N2 MolecularWeight: 340.307239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1CCCN(CC1)CC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H18F6N2/c1-22-5-2-6-23(8-7-22)10-11-3-4-12(14(16,17)18)9-13(11)15(19,20)21/h3-4,9H,2,5-8,10H2,1H3