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

Systemtic Name: ethyl (E)-3-[[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[2-(1-ethyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-4-25-13-15(12-22-25)19-11-17(16-8-6-7-9-18(16)24-19)21(27)23-14(3)10-20(26)28-5-2/h6-13H,4-5H2,1-3H3,(H,23,27)/b14-10+