6-chloranyl-1-oxidanylidene-4-phenyl-2-(propylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-oxidanylidene-4-phenyl-2-(propylamino)isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-1-oxo-4-phenyl-2-(propylamino)isoquinoline-3-carboxylic acid CAS Name: 6-chloro-1-oxo-4-phenyl-2-(propylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-1-oxo-4-phenyl-2-(propylamino)isoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-4-phenyl-2-(propylamino)isoquinoline-3-carboxylic acid Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

CCCNN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCNN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H17ClN2O3/c1-2-10-21-22-17(19(24)25)16(12-6-4-3-5-7-12)15-11-13(20)8-9-14(15)18(22)23/h3-9,11,21H,2,10H2,1H3,(H,24,25)