ethyl 4-[1,3-bis(oxidanylidene)-4-[(pyridin-3-ylamino)methylidene]isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-4-[(pyridin-3-ylamino)methylidene]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[1,3-dioxo-4-[(3-pyridylamino)methylene]-2-isoquinolyl]benzoate CAS Name: 4-[1,3-dioxo-4-[(3-pyridinylamino)methylidene]-2-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-4-[(pyridin-3-ylamino)methylidene]isoquinolin-2-yl]benzoate Traditional Name: 4-[1,3-diketo-4-[(3-pyridylamino)methylene]-2-isoquinolyl]benzoic acid ethyl ester Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CN=CC=C4)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=CN=CC=C4)C2=O

InChI

InChI=1S/C24H19N3O4/c1-2-31-24(30)16-9-11-18(12-10-16)27-22(28)20-8-4-3-7-19(20)21(23(27)29)15-26-17-6-5-13-25-14-17/h3-15,26H,2H2,1H3