N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[4-bromo-1-(2,4-dichlorobenzyl)pyrazol-3-yl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C26H21BrCl2N6O MolecularWeight: 584.29454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Br)CC5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Br)CC5=C(C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C26H21BrCl2N6O/c1-3-35-15(2)20(12-30-35)24-11-19(18-6-4-5-7-23(18)31-24)26(36)32-25-21(27)14-34(33-25)13-16-8-9-17(28)10-22(16)29/h4-12,14H,3,13H2,1-2H3,(H,32,33,36)