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

Systemtic Name: ethanoyl 2-[5-azanyl-6-ethyl-2-methyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-(5-amino-7-benzyl-6-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-oxo-acetate CAS Name: 2-[5-amino-6-ethyl-2-methyl-7-(phenylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-(5-amino-7-benzyl-6-ethyl-2-methylpyrrolo[1,2-b]pyridazin-3-yl)-2-oxoacetate Traditional Name: 2-(5-amino-7-benzyl-6-ethyl-2-methyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-keto-acetic acid acetyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-4-15-17(10-14-8-6-5-7-9-14)24-18(19(15)22)11-16(12(2)23-24)20(26)21(27)28-13(3)25/h5-9,11H,4,10,22H2,1-3H3