ethyl 7-chloranyl-2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: ethyl 7-chloranyl-2-[3-(dimethylamino)propyl]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: ethyl 7-chloro-2-[3-(dimethylamino)propyl]-1-oxo-isoquinoline-4-carboxylate CAS Name: 7-chloro-2-[3-(dimethylamino)propyl]-1-oxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2-[3-(dimethylamino)propyl]-1-oxoisoquinoline-4-carboxylate Traditional Name: 7-chloro-2-[3-(dimethylamino)propyl]-1-keto-isoquinoline-4-carboxylic acid ethyl ester Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=O)C2=C1C=CC(=C2)Cl)CCCN(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C(=O)C2=C1C=CC(=C2)Cl)CCCN(C)C

InChI

InChI=1S/C17H21ClN2O3/c1-4-23-17(22)15-11-20(9-5-8-19(2)3)16(21)14-10-12(18)6-7-13(14)15/h6-7,10-11H,4-5,8-9H2,1-3H3