1-[7,8-bis(4-chlorophenyl)-3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(ethylamino)piperidine-4-carboxamide

Systemtic Name: 1-[7,8-bis(4-chlorophenyl)-3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(ethylamino)piperidine-4-carboxamide Openeye Name: 1-[7,8-bis(4-chlorophenyl)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(ethylamino)piperidine-4-carboxamide CAS Name: 1-[7,8-bis(4-chlorophenyl)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(ethylamino)-4-piperidinecarboxamide IUPAC Name: 1-[7,8-bis(4-chlorophenyl)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(ethylamino)piperidine-4-carboxamide Traditional Name: 1-[7,8-bis(4-chlorophenyl)-3-keto-2-[4-(trifluoromethyl)benzyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(ethylamino)isonipecotamide Formula: C33H30Cl2F3N7O2 MolecularWeight: 684.53821

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(CCN(CC1)C2=NC(=C(C3=NN(C(=O)N32)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C(=O)N

Isomeric SMILES

CCNC1(CCN(CC1)C2=NC(=C(C3=NN(C(=O)N32)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C(=O)N

InChI

InChI=1S/C33H30Cl2F3N7O2/c1-2-40-32(29(39)46)15-17-43(18-16-32)30-41-27(22-7-13-25(35)14-8-22)26(21-5-11-24(34)12-6-21)28-42-44(31(47)45(28)30)19-20-3-9-23(10-4-20)33(36,37)38/h3-14,40H,2,15-19H2,1H3,(H2,39,46)