4-(4-chloranyl-5-cyano-2-ethyl-3-oxidanylidene-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate

Systemtic Name: 4-(4-chloranyl-5-cyano-2-ethyl-3-oxidanylidene-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate Openeye Name: 4-(4-chloro-5-cyano-2-ethyl-3-oxo-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate CAS Name: benzoic acid 4-(4-chloro-5-cyano-2-ethyl-3-oxo-7-pyrrolo[2,3-c]pyridazinyl)butyl ester IUPAC Name: 4-(4-chloro-5-cyano-2-ethyl-3-oxopyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate Traditional Name: benzoic acid 4-(4-chloro-5-cyano-2-ethyl-3-keto-pyrrolo[2,3-c]pyridazin-7-yl)butyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2C(=CN(C2=N1)CCCCOC(=O)C3=CC=CC=C3)C#N)Cl

Isomeric SMILES

CCN1C(=O)C(=C2C(=CN(C2=N1)CCCCOC(=O)C3=CC=CC=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN4O3/c1-2-25-19(26)17(21)16-15(12-22)13-24(18(16)23-25)10-6-7-11-28-20(27)14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-11H2,1H3