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

Systemtic Name: N-[4-(diethylaminomethyl)pyridin-2-yl]-1-methyl-N-(N-oxidanylidenecarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-[4-(diethylaminomethyl)-2-pyridyl]-1-methyl-N-(N-oxocarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-[4-(diethylaminomethyl)-2-pyridinyl]-N-[imino(nitroso)methyl]-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-[4-(diethylaminomethyl)pyridin-2-yl]-1-methyl-N-(N-oxocarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-[4-(diethylaminomethyl)-2-pyridyl]-N-(N-ketoamidino)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C22H23F3N6O2 MolecularWeight: 460.45223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=NC=C1)N(C(=O)C2=CC3=C(C=CC=C3N2C)C(F)(F)F)C(=N)N=O

Isomeric SMILES

CCN(CC)CC1=CC(=NC=C1)N(C(=O)C2=CC3=C(C=CC=C3N2C)C(F)(F)F)C(=N)N=O

InChI

InChI=1S/C22H23F3N6O2/c1-4-30(5-2)13-14-9-10-27-19(11-14)31(21(26)28-33)20(32)18-12-15-16(22(23,24)25)7-6-8-17(15)29(18)3/h6-12,26H,4-5,13H2,1-3H3