butan-1-amine; N-(4-ethoxy-3-fluoranyl-phenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide

Systemtic Name: butan-1-amine; N-(4-ethoxy-3-fluoranyl-phenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide Openeye Name: butan-1-amine; N-(4-ethoxy-3-fluoro-phenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide CAS Name: 1-butanamine; N-(4-ethoxy-3-fluorophenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide IUPAC Name: butan-1-amine; N-(4-ethoxy-3-fluorophenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide Traditional Name: butylamine; N-(4-ethoxy-3-fluoro-phenyl)-4-keto-1,5,6,7-tetrahydroindole-3-carboxamide Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CCOC1=C(C=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3)F

Isomeric SMILES

CCCCN.CCOC1=C(C=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3)F

InChI

InChI=1S/C17H17FN2O3.C4H11N/c1-2-23-15-7-6-10(8-12(15)18)20-17(22)11-9-19-13-4-3-5-14(21)16(11)13;1-2-3-4-5/h6-9,19H,2-5H2,1H3,(H,20,22);2-5H2,1H3