N-[bis(azanyl)methylidene]-1-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-(diaminomethylene)-1-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-(diaminomethylidene)-1-[3-(1-pyrrolidinyl)propyl]-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-(diaminomethylidene)-1-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-(diaminomethylene)-1-(3-pyrrolidinopropyl)-4-(trifluoromethyl)indole-2-carboxamide Formula: C18H22F3N5O MolecularWeight: 381.39539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN2C3=CC=CC(=C3C=C2C(=O)N=C(N)N)C(F)(F)F

Isomeric SMILES

C1CCN(C1)CCCN2C3=CC=CC(=C3C=C2C(=O)N=C(N)N)C(F)(F)F

InChI

InChI=1S/C18H22F3N5O/c19-18(20,21)13-5-3-6-14-12(13)11-15(16(27)24-17(22)23)26(14)10-4-9-25-7-1-2-8-25/h3,5-6,11H,1-2,4,7-10H2,(H4,22,23,24,27)