ethyl 1-(4-methylphenyl)-4-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)-4-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(3-morpholinopropylamino)-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 1-(4-methylphenyl)-4-[3-(4-morpholinyl)propylamino]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)-4-(3-morpholin-4-ylpropylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 6-keto-4-(3-morpholinopropylamino)-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NCCCN2CCOCC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NCCCN2CCOCC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O4/c1-3-29-21(27)20-18(22-9-4-10-24-11-13-28-14-12-24)15-19(26)25(23-20)17-7-5-16(2)6-8-17/h5-8,15,22H,3-4,9-14H2,1-2H3