4-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C30H19N3O4 MolecularWeight: 485.48956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C5=NC6=CC=CC=C6C=C5)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C5=NC6=CC=CC=C6C=C5)C(=O)C(=O)O

InChI

InChI=1S/C30H19N3O4/c34-29(30(35)36)23(25-15-14-19-8-4-6-12-24(19)31-25)16-21-18-33(22-10-2-1-3-11-22)32-28(21)27-17-20-9-5-7-13-26(20)37-27/h1-18H,(H,35,36)