methyl 4-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]butanoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]butanoate Openeye Name: methyl 4-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]butanoate CAS Name: 4-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]butanoate Traditional Name: 4-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]butyric acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

Isomeric SMILES

COC(=O)CCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C20H19N3O4/c1-27-18(24)10-6-11-21-13-16-14-7-2-3-8-15(14)19(25)23(20(16)26)17-9-4-5-12-22-17/h2-5,7-9,12-13,16H,6,10-11H2,1H3