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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamine Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]ethanamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)ethanamine Traditional Name: [2-(4-benzylpiperazino)-2-(2-methoxyphenyl)ethyl]-[3,5-bis(trifluoromethyl)benzyl]amine Formula: C29H31F6N3O MolecularWeight: 551.566359

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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)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H31F6N3O/c1-39-27-10-6-5-9-25(27)26(38-13-11-37(12-14-38)20-21-7-3-2-4-8-21)19-36-18-22-15-23(28(30,31)32)17-24(16-22)29(33,34)35/h2-10,15-17,26,36H,11-14,18-20H2,1H3