N-[5-(aminomethyl)pyridin-3-yl]-1-methyl-N-(N-oxidanylidenecarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-[5-(aminomethyl)pyridin-3-yl]-1-methyl-N-(N-oxidanylidenecarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-[5-(aminomethyl)-3-pyridyl]-1-methyl-N-(N-oxocarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-[5-(aminomethyl)-3-pyridinyl]-N-[imino(nitroso)methyl]-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-[5-(aminomethyl)pyridin-3-yl]-1-methyl-N-(N-oxocarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-[5-(aminomethyl)-3-pyridyl]-N-(N-ketoamidino)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C18H15F3N6O2 MolecularWeight: 404.34591

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2C=C1C(=O)N(C3=CN=CC(=C3)CN)C(=N)N=O)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC(=C2C=C1C(=O)N(C3=CN=CC(=C3)CN)C(=N)N=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N6O2/c1-26-14-4-2-3-13(18(19,20)21)12(14)6-15(26)16(28)27(17(23)25-29)11-5-10(7-22)8-24-9-11/h2-6,8-9,23H,7,22H2,1H3