2-[3-(diethylamino)propyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[3-(diethylamino)propyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-(diethylamino)propyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(diethylamino)propyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[3-(diethylamino)propyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[3-(diethylamino)propyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N2O3/c1-3-24(4-2)15-10-16-25-21(23(27)28)20(17-11-6-5-7-12-17)18-13-8-9-14-19(18)22(25)26/h5-9,11-14H,3-4,10,15-16H2,1-2H3,(H,27,28)