N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pentanamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pentanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]pentanamide CAS Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolinyl)methyl]pentanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]pentanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]valeramide Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl

Isomeric SMILES

CCCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-2-3-6-19(26)25-20(13-7-8-17-18(10-13)29-12-28-17)15-11-16(23)14-5-4-9-24-21(14)22(15)27/h4-5,7-11,20,27H,2-3,6,12H2,1H3,(H,25,26)