N-[bis(azanyl)methylidene]-1-methyl-7-(2-pyrrol-1-ylethoxy)-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-methyl-7-(2-pyrrol-1-ylethoxy)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-(diaminomethylene)-1-methyl-7-(2-pyrrol-1-ylethoxy)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-(diaminomethylidene)-1-methyl-7-[2-(1-pyrrolyl)ethoxy]-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-(diaminomethylidene)-1-methyl-7-(2-pyrrol-1-ylethoxy)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-(diaminomethylene)-1-methyl-7-(2-pyrrol-1-ylethoxy)-4-(trifluoromethyl)indole-2-carboxamide Formula: C18H18F3N5O2 MolecularWeight: 393.36303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)OCCN3C=CC=C3)C(F)(F)F)C(=O)N=C(N)N

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)OCCN3C=CC=C3)C(F)(F)F)C(=O)N=C(N)N

InChI

InChI=1S/C18H18F3N5O2/c1-25-13(16(27)24-17(22)23)10-11-12(18(19,20)21)4-5-14(15(11)25)28-9-8-26-6-2-3-7-26/h2-7,10H,8-9H2,1H3,(H4,22,23,24,27)