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

Systemtic Name: N-[5-(diethylaminomethyl)pyridin-3-yl]-1-methyl-N-(N-oxidanylidenecarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-[5-(diethylaminomethyl)-3-pyridyl]-1-methyl-N-(N-oxocarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-[5-(diethylaminomethyl)-3-pyridinyl]-N-[imino(nitroso)methyl]-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-[5-(diethylaminomethyl)pyridin-3-yl]-1-methyl-N-(N-oxocarbamimidoyl)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-[5-(diethylaminomethyl)-3-pyridyl]-N-(N-ketoamidino)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C22H23F3N6O2 MolecularWeight: 460.45223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)CC1=CC(=CN=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)13-14-9-15(12-27-11-14)31(21(26)28-33)20(32)19-10-16-17(22(23,24)25)7-6-8-18(16)29(19)3/h6-12,26H,4-5,13H2,1-3H3