ethanoyl 2-[5-azanyl-2,6-dimethyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethanoyl 2-[5-azanyl-2,6-dimethyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-(5-amino-7-benzyl-2,6-dimethyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-oxo-acetate CAS Name: 2-[5-amino-2,6-dimethyl-7-(phenylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-(5-amino-7-benzyl-2,6-dimethylpyrrolo[1,2-b]pyridazin-3-yl)-2-oxoacetate Traditional Name: 2-(5-amino-7-benzyl-2,6-dimethyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-keto-acetic acid acetyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C1N)C=C(C(=N2)C)C(=O)C(=O)OC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(=C1N)C=C(C(=N2)C)C(=O)C(=O)OC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-11-16(9-14-7-5-4-6-8-14)23-17(18(11)21)10-15(12(2)22-23)19(25)20(26)27-13(3)24/h4-8,10H,9,21H2,1-3H3