(E)-3-(1,3-benzodioxol-5-yl)-1-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methyl-4-phenyl-3-quinolyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(6-bromo-2-methyl-4-phenyl-3-quinolyl)prop-2-en-1-one Formula: C26H18BrNO3 MolecularWeight: 472.33002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H18BrNO3/c1-16-25(22(29)11-7-17-8-12-23-24(13-17)31-15-30-23)26(18-5-3-2-4-6-18)20-14-19(27)9-10-21(20)28-16/h2-14H,15H2,1H3/b11-7+