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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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