methyl 2-[5,7-dimethyl-4-oxidanylidene-6-(phenylmethyl)pyrrolo[3,4-d]pyridazin-3-yl]ethanoate

Systemtic Name: methyl 2-[5,7-dimethyl-4-oxidanylidene-6-(phenylmethyl)pyrrolo[3,4-d]pyridazin-3-yl]ethanoate Openeye Name: methyl 2-(6-benzyl-5,7-dimethyl-4-oxo-pyrrolo[3,4-d]pyridazin-3-yl)acetate CAS Name: 2-[5,7-dimethyl-4-oxo-6-(phenylmethyl)-3-pyrrolo[3,4-d]pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(6-benzyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)acetate Traditional Name: 2-(6-benzyl-4-keto-5,7-dimethyl-pyrrolo[3,4-d]pyridazin-3-yl)acetic acid methyl ester Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)OC

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3)C)CC(=O)OC

InChI

InChI=1S/C18H19N3O3/c1-12-15-9-19-21(11-16(22)24-3)18(23)17(15)13(2)20(12)10-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3