N-carbamimidoyl-N-[3-(dimethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-[3-(dimethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-[3-(dimethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-carbamimidoyl-N-[3-(dimethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-carbamimidoyl-N-[3-(dimethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-amidino-N-[3-(dimethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C21H22F3N5O2 MolecularWeight: 433.42689

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OC3=CC=CC(=C3)CN(C)C)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OC3=CC=CC(=C3)CN(C)C)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O2/c1-27(2)12-13-6-4-7-14(10-13)31-29(20(25)26)19(30)18-11-15-16(21(22,23)24)8-5-9-17(15)28(18)3/h4-11H,12H2,1-3H3,(H3,25,26)