N-methyl-N-(N-oxidanylidenecarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide

Systemtic Name: N-methyl-N-(N-oxidanylidenecarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Openeye Name: N-methyl-N-(N-oxocarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide CAS Name: N-[imino(nitroso)methyl]-N-methyl-6-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide IUPAC Name: N-methyl-N-(N-oxocarbamimidoyl)-6-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Traditional Name: N-(N-ketoamidino)-N-methyl-6-[5-(pyrrolidinomethyl)-3-pyridyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Formula: C22H21F3N6O2 MolecularWeight: 458.43635

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(C=C(C=C2N1)C3=CC(=CN=C3)CN4CCCC4)C(F)(F)F)C(=N)N=O

Isomeric SMILES

CN(C(=O)C1=CC2=C(C=C(C=C2N1)C3=CC(=CN=C3)CN4CCCC4)C(F)(F)F)C(=N)N=O

InChI

InChI=1S/C22H21F3N6O2/c1-30(21(26)29-33)20(32)19-9-16-17(22(23,24)25)7-14(8-18(16)28-19)15-6-13(10-27-11-15)12-31-4-2-3-5-31/h6-11,26,28H,2-5,12H2,1H3