N-carbamimidoyl-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide CAS Name: N-carbamimidoyl-N-[3-(1-pyrrolidinyl)propyl]-4-(trifluoromethyl)-1H-indole-2-carboxamide IUPAC Name: N-carbamimidoyl-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide Traditional Name: N-amidino-N-(3-pyrrolidinopropyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide Formula: C18H22F3N5O MolecularWeight: 381.39539

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN(C(=O)C2=CC3=C(C=CC=C3N2)C(F)(F)F)C(=N)N

Isomeric SMILES

C1CCN(C1)CCCN(C(=O)C2=CC3=C(C=CC=C3N2)C(F)(F)F)C(=N)N

InChI

InChI=1S/C18H22F3N5O/c19-18(20,21)13-5-3-6-14-12(13)11-15(24-14)16(27)26(17(22)23)10-4-9-25-7-1-2-8-25/h3,5-6,11,24H,1-2,4,7-10H2,(H3,22,23)