ethyl 4-methyl-2-[(1-oxidanylidenephthalazin-2-yl)methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(1-oxidanylidenephthalazin-2-yl)methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[(1-oxophthalazin-2-yl)methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(1-oxo-2-phthalazinyl)methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(1-oxophthalazin-2-yl)methyl]quinoline-3-carboxylate Traditional Name: 2-[(1-ketophthalazin-2-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3C(=O)C4=CC=CC=C4C=N3)C

InChI

InChI=1S/C22H19N3O3/c1-3-28-22(27)20-14(2)16-9-6-7-11-18(16)24-19(20)13-25-21(26)17-10-5-4-8-15(17)12-23-25/h4-12H,3,13H2,1-2H3