3-[[2-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-ethyl-1H-quinolin-2-one

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[[2-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[[2-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[[2-(1,3-benzodioxol-5-yl)ethylamino]methyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 6-ethyl-3-[(homopiperonylamino)methyl]carbostyril Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CNCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CNCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3/c1-2-14-3-5-18-16(9-14)11-17(21(24)23-18)12-22-8-7-15-4-6-19-20(10-15)26-13-25-19/h3-6,9-11,22H,2,7-8,12-13H2,1H3,(H,23,24)