N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethanamine

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethanamine Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethanamine CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethanamine IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethanamine Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-[2-(4-cyclohexyl-1,4-diazepan-1-yl)-2-(2-methoxyphenyl)ethyl]amine Formula: C29H37F6N3O MolecularWeight: 557.613999

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCCN(CC3)C4CCCCC4

InChI

InChI=1S/C29H37F6N3O/c1-39-27-11-6-5-10-25(27)26(38-13-7-12-37(14-15-38)24-8-3-2-4-9-24)20-36-19-21-16-22(28(30,31)32)18-23(17-21)29(33,34)35/h5-6,10-11,16-18,24,26,36H,2-4,7-9,12-15,19-20H2,1H3