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

Systemtic Name: 6-chloranyl-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[1-ethyl-3-[oxo-(phenethylamino)methyl]-4-pyrazolyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-[1-ethyl-3-(phenethylcarbamoyl)pyrazol-4-yl]-2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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