(2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(N'-phenylcarbamimidoyl)piperazin-1-yl]ethanamide dihydrochloride

Systemtic Name: (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(N'-phenylcarbamimidoyl)piperazin-1-yl]ethanamide dihydrochloride Openeye Name: (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(N'-phenylcarbamimidoyl)piperazin-1-yl]acetamide dihydrochloride CAS Name: (2S)-2-[4-[amino(phenylimino)methyl]-1-piperazinyl]-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenylacetamide dihydrochloride IUPAC Name: (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(N'-phenylcarbamimidoyl)piperazin-1-yl]acetamide dihydrochloride Traditional Name: (2S)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(N'-phenylamidino)piperazino]acetamide dihydrochloride Formula: C30H33Cl2F6N5O MolecularWeight: 664.512339

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)C(C2=CC=CC=C2)N3CCN(CC3)C(=NC4=CC=CC=C4)N.Cl.Cl

Isomeric SMILES

CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](C2=CC=CC=C2)N3CCN(CC3)C(=NC4=CC=CC=C4)N.Cl.Cl

InChI

InChI=1S/C30H31F6N5O.2ClH/c1-39(13-12-21-18-23(29(31,32)33)20-24(19-21)30(34,35)36)27(42)26(22-8-4-2-5-9-22)40-14-16-41(17-15-40)28(37)38-25-10-6-3-7-11-25;;/h2-11,18-20,26H,12-17H2,1H3,(H2,37,38);2*1H/t26-;;/m0../s1