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

Systemtic Name: 6-chloranyl-1-oxidanylidene-2-(pentylamino)-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-1-oxo-2-(pentylamino)-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-1-oxo-2-(pentylamino)-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-1-oxo-2-(pentylamino)-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(amylamino)-6-chloro-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCNN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21ClN2O3/c1-2-3-7-12-23-24-19(21(26)27)18(14-8-5-4-6-9-14)17-13-15(22)10-11-16(17)20(24)25/h4-6,8-11,13,23H,2-3,7,12H2,1H3,(H,26,27)