N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C21H21BrN6O MolecularWeight: 453.33504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4)C

InChI

InChI=1S/C21H21BrN6O/c1-14-18(22)13-28(26-14)9-5-8-23-21(29)17-10-20(15-11-24-27(2)12-15)25-19-7-4-3-6-16(17)19/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,23,29)