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

Systemtic Name: ethanoyl 2-[5-azanyl-6-ethyl-2-methyl-7-[(2-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: acetyl 2-[5-amino-6-ethyl-2-methyl-7-[(2-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazin-3-yl]-2-oxo-acetate CAS Name: 2-[5-amino-6-ethyl-2-methyl-7-[(2-phenylphenyl)methyl]-3-pyrrolo[1,2-b]pyridazinyl]-2-oxoacetic acid acetyl ester IUPAC Name: acetyl 2-[5-amino-6-ethyl-2-methyl-7-[(2-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazin-3-yl]-2-oxoacetate Traditional Name: 2-[5-amino-6-ethyl-2-methyl-7-(2-phenylbenzyl)pyrrolo[1,2-b]pyridazin-3-yl]-2-keto-acetic acid acetyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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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=C3C4=CC=CC=C4

Isomeric SMILES

CCC1=C(N2C(=C1N)C=C(C(=N2)C)C(=O)C(=O)OC(=O)C)CC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-4-20-23(14-19-12-8-9-13-21(19)18-10-6-5-7-11-18)30-24(25(20)28)15-22(16(2)29-30)26(32)27(33)34-17(3)31/h5-13,15H,4,14,28H2,1-3H3