N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide

Systemtic Name: N-methyl-N-(N-oxidanylidenecarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Openeye Name: N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)-3-pyridyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide CAS Name: N-[imino(nitroso)methyl]-N-methyl-7-[5-(1-pyrrolidinylmethyl)-3-pyridinyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide IUPAC Name: N-methyl-N-(N-oxocarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-4-(trifluoromethyl)-1H-indole-2-carboxamide Traditional Name: N-(N-ketoamidino)-N-methyl-7-[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=CC(=C2N1)C3=CC(=CN=C3)CN4CCCC4)C(F)(F)F)C(=N)N=O

Isomeric SMILES

CN(C(=O)C1=CC2=C(C=CC(=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)18-9-16-17(22(23,24)25)5-4-15(19(16)28-18)14-8-13(10-27-11-14)12-31-6-2-3-7-31/h4-5,8-11,26,28H,2-3,6-7,12H2,1H3