4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-2-(furan-2-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methylidene]-2-(furan-2-ylmethyl)isoquinoline-1,3-dione Openeye Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-2-(2-furylmethyl)isoquinoline-1,3-dione CAS Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-2-(2-furanylmethyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-2-(furan-2-ylmethyl)isoquinoline-1,3-dione Traditional Name: 2-(2-furfuryl)-4-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methylene]isoquinoline-1,3-quinone Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CO5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CO5

InChI

InChI=1S/C26H22N4O4/c1-17-23(26(33)30(28(17)2)18-9-4-3-5-10-18)27-15-22-20-12-6-7-13-21(20)24(31)29(25(22)32)16-19-11-8-14-34-19/h3-15,27H,16H2,1-2H3