(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4/c1-15-6-5-11-25-20(28)12-17(23-21(15)25)14-30-22(29)18-9-10-19(27)26(24-18)13-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3