N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxidanylidene-quinolin-2-yl]pentanamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxidanylidene-quinolin-2-yl]pentanamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-2-quinolyl]pentanamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-2-quinolinyl]pentanamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-oxoquinolin-2-yl]pentanamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-1-methyl-2-quinolyl]valeramide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(=O)NC1=C(C(=O)C2=CC=CC=C2N1C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O4/c1-3-4-9-19(25)23-22-20(14-10-11-17-18(12-14)28-13-27-17)21(26)15-7-5-6-8-16(15)24(22)2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,25)