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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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