(3E)-6-bromanyl-3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanoyl-pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one

Systemtic Name: (3E)-6-bromanyl-3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethanoyl-pyrazolidin-3-ylidene]-4-phenyl-quinolin-2-one Openeye Name: (3E)-3-[1-acetyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-quinolin-2-one CAS Name: (3E)-3-[1-acetyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazolidinylidene]-6-bromo-4-phenyl-2-quinolinone IUPAC Name: (3E)-3-[1-acetyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenylquinolin-2-one Traditional Name: (3E)-3-[1-acetyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidin-3-ylidene]-6-bromo-4-phenyl-carbostyril Formula: C28H22BrN3O4 MolecularWeight: 544.39598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)N1)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CC(=O)N1C(C/C(=C\2/C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)/N1)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H22BrN3O4/c1-16(33)32-23(18-7-10-24-25(13-18)36-12-11-35-24)15-22(31-32)27-26(17-5-3-2-4-6-17)20-14-19(29)8-9-21(20)30-28(27)34/h2-10,13-14,23,31H,11-12,15H2,1H3/b27-22+