methyl 1,3-bis(chloranyl)-7-cyano-8-(diethylamino)-5-oxidanyl-6H-isoquinoline-5-carboxylate

Systemtic Name: methyl 1,3-bis(chloranyl)-7-cyano-8-(diethylamino)-5-oxidanyl-6H-isoquinoline-5-carboxylate Openeye Name: methyl 1,3-dichloro-7-cyano-8-(diethylamino)-5-hydroxy-6H-isoquinoline-5-carboxylate CAS Name: 1,3-dichloro-7-cyano-8-(diethylamino)-5-hydroxy-6H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1,3-dichloro-7-cyano-8-(diethylamino)-5-hydroxy-6H-isoquinoline-5-carboxylate Traditional Name: 1,3-dichloro-7-cyano-8-(diethylamino)-5-hydroxy-6H-isoquinoline-5-carboxylic acid methyl ester Formula: C16H17Cl2N3O3 MolecularWeight: 370.23048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(CC(C2=CC(=NC(=C21)Cl)Cl)(C(=O)OC)O)C#N

Isomeric SMILES

CCN(CC)C1=C(CC(C2=CC(=NC(=C21)Cl)Cl)(C(=O)OC)O)C#N

InChI

InChI=1S/C16H17Cl2N3O3/c1-4-21(5-2)13-9(8-19)7-16(23,15(22)24-3)10-6-11(17)20-14(18)12(10)13/h6,23H,4-5,7H2,1-3H3