methyl 6-azanyl-4-(3-chloranyl-6,7-dimethoxy-isoquinolin-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-4-(3-chloranyl-6,7-dimethoxy-isoquinolin-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-4-(3-chloro-6,7-dimethoxy-4-isoquinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-chloro-6,7-dimethoxy-4-isoquinolinyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-4-(3-chloro-6,7-dimethoxyisoquinolin-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-chloro-6,7-dimethoxy-4-isoquinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=C(N=CC3=CC(=C(C=C32)OC)OC)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=C(N=CC3=CC(=C(C=C32)OC)OC)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClN3O5/c1-9-15(20(25)28-4)16(12(7-22)19(23)29-9)17-11-6-14(27-3)13(26-2)5-10(11)8-24-18(17)21/h5-6,8,16H,23H2,1-4H3