1-[4-(1,3-benzodioxol-5-ylamino)-8-methoxy-quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylamino)-8-methoxy-quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylamino)-8-methoxy-3-quinolyl]butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylamino)-8-methoxy-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylamino)-8-methoxyquinolin-3-yl]butan-1-one Traditional Name: 1-[4-(1,3-benzodioxol-5-ylamino)-8-methoxy-3-quinolyl]butan-1-one Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC4=C(C=C3)OCO4)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC4=C(C=C3)OCO4)C=CC=C2OC

InChI

InChI=1S/C21H20N2O4/c1-3-5-16(24)15-11-22-21-14(6-4-7-18(21)25-2)20(15)23-13-8-9-17-19(10-13)27-12-26-17/h4,6-11H,3,5,12H2,1-2H3,(H,22,23)