ethyl (E)-3-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=CC(=O)OCC)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/C(=C/C(=O)OCC)/C)C

InChI

InChI=1S/C22H24N4O3/c1-5-26-15(4)18(13-23-26)20-12-17(16-9-7-8-10-19(16)25-20)22(28)24-14(3)11-21(27)29-6-2/h7-13H,5-6H2,1-4H3,(H,24,28)/b14-11+