N-[[3-(aminomethyl)phenyl]methoxy]-N-carbamimidoyl-1-methyl-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methoxy]-N-carbamimidoyl-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methoxy]-N-carbamimidoyl-1-methyl-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methoxy]-N-carbamimidoyl-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methoxy]-N-carbamimidoyl-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-amidino-N-[3-(aminomethyl)benzyl]oxy-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C20H20F3N5O2 MolecularWeight: 419.40031

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OCC3=CC=CC(=C3)CN)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OCC3=CC=CC(=C3)CN)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2/c1-27-16-7-3-6-15(20(21,22)23)14(16)9-17(27)18(29)28(19(25)26)30-11-13-5-2-4-12(8-13)10-24/h2-9H,10-11,24H2,1H3,(H3,25,26)