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

Systemtic Name: ethyl 4-[1,3-bis(oxidanylidene)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[1,3-dioxo-4-[(2-pyridylmethylamino)methylene]-2-isoquinolyl]benzoate CAS Name: 4-[1,3-dioxo-4-[(2-pyridinylmethylamino)methylidene]-2-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1,3-dioxo-4-[(pyridin-2-ylmethylamino)methylidene]isoquinolin-2-yl]benzoate Traditional Name: 4-[1,3-diketo-4-[(2-pyridylmethylamino)methylene]-2-isoquinolyl]benzoic acid ethyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC4=CC=CC=N4)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC4=CC=CC=N4)C2=O

InChI

InChI=1S/C25H21N3O4/c1-2-32-25(31)17-10-12-19(13-11-17)28-23(29)21-9-4-3-8-20(21)22(24(28)30)16-26-15-18-7-5-6-14-27-18/h3-14,16,26H,2,15H2,1H3