4-[[(5-chloranylpyridin-2-yl)amino]methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(5-chloranylpyridin-2-yl)amino]methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[[(5-chloro-2-pyridyl)amino]methylene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[[(5-chloro-2-pyridinyl)amino]methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[(5-chloropyridin-2-yl)amino]methylidene]-2-(4-ethoxyphenyl)isoquinoline-1,3-dione Traditional Name: 4-[[(5-chloro-2-pyridyl)amino]methylene]-2-p-phenetyl-isoquinoline-1,3-quinone Formula: C23H18ClN3O3 MolecularWeight: 419.86032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=C(C=C4)Cl)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=C(C=C4)Cl)C2=O

InChI

InChI=1S/C23H18ClN3O3/c1-2-30-17-10-8-16(9-11-17)27-22(28)19-6-4-3-5-18(19)20(23(27)29)14-26-21-12-7-15(24)13-25-21/h3-14H,2H2,1H3,(H,25,26)