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

Systemtic Name: 1-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(3,4,5-trimethoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C30H28BrN3O4 MolecularWeight: 574.46502

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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=CC(=C(C(=C5)OC)OC)OC)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H28BrN3O4/c1-17-28(29(19-9-7-6-8-10-19)22-15-21(31)11-12-23(22)32-17)24-16-25(34(33-24)18(2)35)20-13-26(36-3)30(38-5)27(14-20)37-4/h6-15,25H,16H2,1-5H3