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

Systemtic Name: ethanoyl 2-[5-azanyl-6-methyl-7-(phenylmethyl)-2-propyl-pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-(5-amino-7-benzyl-6-methyl-2-propyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-oxo-acetate CAS Name: 2-[5-amino-6-methyl-7-(phenylmethyl)-2-propyl-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-(5-amino-7-benzyl-6-methyl-2-propylpyrrolo[1,2-b]pyridazin-3-yl)-2-oxoacetate Traditional Name: 2-(5-amino-7-benzyl-6-methyl-2-propyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-keto-acetic acid acetyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN2C(=C(C(=C2CC3=CC=CC=C3)C)N)C=C1C(=O)C(=O)OC(=O)C

Isomeric SMILES

CCCC1=NN2C(=C(C(=C2CC3=CC=CC=C3)C)N)C=C1C(=O)C(=O)OC(=O)C

InChI

InChI=1S/C22H23N3O4/c1-4-8-17-16(21(27)22(28)29-14(3)26)12-19-20(23)13(2)18(25(19)24-17)11-15-9-6-5-7-10-15/h5-7,9-10,12H,4,8,11,23H2,1-3H3