N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C25H21ClN6O MolecularWeight: 456.92684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=C4Cl)CC5=CC=CC=C5

InChI

InChI=1S/C25H21ClN6O/c1-2-31-15-18(13-27-31)23-12-20(19-10-6-7-11-22(19)28-23)25(33)29-24-21(26)16-32(30-24)14-17-8-4-3-5-9-17/h3-13,15-16H,2,14H2,1H3,(H,29,30,33)