6-chloranyl-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[1-ethyl-3-[oxo-(phenethylamino)methyl]-4-pyrazolyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-(4-pyridyl)cinchoninamide Formula: C29H25ClN6O2 MolecularWeight: 525.0008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCC2=CC=CC=C2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C29H25ClN6O2/c1-2-36-18-26(27(35-36)29(38)32-15-10-19-6-4-3-5-7-19)34-28(37)23-17-25(20-11-13-31-14-12-20)33-24-9-8-21(30)16-22(23)24/h3-9,11-14,16-18H,2,10,15H2,1H3,(H,32,38)(H,34,37)