1-[3-(1,3-benzodioxol-5-yl)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-2-pyrazolin-1-yl]ethanone Formula: C28H22BrN3O3 MolecularWeight: 528.39658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC6=C(C=C5)OCO6)C(=O)C

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC6=C(C=C5)OCO6)C(=O)C

InChI

InChI=1S/C28H22BrN3O3/c1-16-27(28(18-6-4-3-5-7-18)21-13-20(29)9-10-22(21)30-16)23-14-24(32(31-23)17(2)33)19-8-11-25-26(12-19)35-15-34-25/h3-13,24H,14-15H2,1-2H3