N-[3-(4-bromanylpyrazol-1-yl)propyl]-7-chloranyl-8-methyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-7-chloranyl-8-methyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-7-chloro-8-methyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-7-chloro-8-methyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-7-chloro-8-methyl-2-(4-pyridyl)cinchoninamide Formula: C22H19BrClN5O MolecularWeight: 484.77616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NCCCN3C=C(C=N3)Br)C4=CC=NC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NCCCN3C=C(C=N3)Br)C4=CC=NC=C4)Cl

InChI

InChI=1S/C22H19BrClN5O/c1-14-19(24)4-3-17-18(11-20(28-21(14)17)15-5-8-25-9-6-15)22(30)26-7-2-10-29-13-16(23)12-27-29/h3-6,8-9,11-13H,2,7,10H2,1H3,(H,26,30)