3-[3-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-6-chloranyl-1-methyl-4-phenyl-quinolin-2-one

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]-6-chloranyl-1-methyl-4-phenyl-quinolin-2-one Openeye Name: 3-[2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-1-methyl-4-phenyl-quinolin-2-one CAS Name: 3-[2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-1-methyl-4-phenyl-2-quinolinone IUPAC Name: 3-[2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-1-methyl-4-phenylquinolin-2-one Traditional Name: 3-[1-acetyl-5-(1,3-benzodioxol-5-yl)-2-pyrazolin-3-yl]-6-chloro-1-methyl-4-phenyl-carbostyril Formula: C28H22ClN3O4 MolecularWeight: 499.94498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)N(C2=O)C)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)N(C2=O)C)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H22ClN3O4/c1-16(33)32-23(18-8-11-24-25(12-18)36-15-35-24)14-21(30-32)27-26(17-6-4-3-5-7-17)20-13-19(29)9-10-22(20)31(2)28(27)34/h3-13,23H,14-15H2,1-2H3