methyl 6-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]hexanoate

Systemtic Name: methyl 6-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]hexanoate Openeye Name: methyl 6-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]hexanoate CAS Name: 6-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]hexanoate Traditional Name: 6-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]hexanoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-29-20(26)12-3-2-7-13-23-15-18-16-9-4-5-10-17(16)21(27)25(22(18)28)19-11-6-8-14-24-19/h4-6,8-11,14-15,18H,2-3,7,12-13H2,1H3