1-(4-chlorophenyl)-5-(dipropylamino)-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-5-(dipropylamino)-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-5-(dipropylamino)-4-oxo-cinnoline-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-5-(dipropylamino)-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-5-(dipropylamino)-4-oxocinnoline-3-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-5-(dipropylamino)-4-keto-cinnoline-3-carboxylic acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCN(CCC)C1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H22ClN3O3/c1-3-12-24(13-4-2)16-6-5-7-17-18(16)20(26)19(21(27)28)23-25(17)15-10-8-14(22)9-11-15/h5-11H,3-4,12-13H2,1-2H3,(H,27,28)