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

Systemtic Name: ethanoyl 2-[5-azanyl-6-ethyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-(5-amino-7-benzyl-6-ethyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-oxo-acetate CAS Name: 2-[5-amino-6-ethyl-7-(phenylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-(5-amino-7-benzyl-6-ethylpyrrolo[1,2-b]pyridazin-3-yl)-2-oxoacetate Traditional Name: 2-(5-amino-7-benzyl-6-ethyl-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:

CCC1=C(N2C(=C1N)C=C(C=N2)C(=O)C(=O)OC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N2C(=C1N)C=C(C=N2)C(=O)C(=O)OC(=O)C)CC3=CC=CC=C3

InChI

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