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

Systemtic Name: ethanoyl 2-[5-azanyl-6-ethyl-2-phenyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-(5-amino-7-benzyl-6-ethyl-2-phenyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-oxo-acetate CAS Name: 2-[5-amino-6-ethyl-2-phenyl-7-(phenylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-(5-amino-7-benzyl-6-ethyl-2-phenylpyrrolo[1,2-b]pyridazin-3-yl)-2-oxoacetate Traditional Name: 2-(5-amino-7-benzyl-6-ethyl-2-phenyl-pyrrolo[1,2-b]pyridazin-3-yl)-2-keto-acetic acid acetyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(=C1N)C=C(C(=N2)C3=CC=CC=C3)C(=O)C(=O)OC(=O)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=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/C26H23N3O4/c1-3-19-21(14-17-10-6-4-7-11-17)29-22(23(19)27)15-20(25(31)26(32)33-16(2)30)24(28-29)18-12-8-5-9-13-18/h4-13,15H,3,14,27H2,1-2H3