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

Systemtic Name: ethanoyl 2-[5-azanyl-6-methyl-2-phenyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-(5-amino-7-benzyl-6-methyl-2-phenyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-oxo-acetate CAS Name: 2-[5-amino-6-methyl-2-phenyl-7-(phenylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-(5-amino-7-benzyl-6-methyl-2-phenylpyrrolo[1,2-b]pyridazin-3-yl)-2-oxoacetate Traditional Name: 2-(5-amino-7-benzyl-6-methyl-2-phenyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-keto-acetic acid acetyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C1N)C=C(C(=N2)C3=CC=CC=C3)C(=O)C(=O)OC(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(=C1N)C=C(C(=N2)C3=CC=CC=C3)C(=O)C(=O)OC(=O)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4/c1-15-20(13-17-9-5-3-6-10-17)28-21(22(15)26)14-19(24(30)25(31)32-16(2)29)23(27-28)18-11-7-4-8-12-18/h3-12,14H,13,26H2,1-2H3