(2-chloranylquinolin-3-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C22H18ClN3O3/c1-2-11-26-21(27)17-9-5-4-8-16(17)19(25-26)22(28)29-13-15-12-14-7-3-6-10-18(14)24-20(15)23/h3-10,12H,2,11,13H2,1H3