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

Systemtic Name: ethyl (E)-3-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[2-(1-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3)C

InChI

InChI=1S/C20H20N4O3/c1-4-27-19(25)9-13(2)22-20(26)16-10-18(14-11-21-24(3)12-14)23-17-8-6-5-7-15(16)17/h5-12H,4H2,1-3H3,(H,22,26)/b13-9+