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

Systemtic Name: 4-(4-chloranyl-5-cyano-3-oxidanylidene-2-propyl-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate Openeye Name: 4-(4-chloro-5-cyano-3-oxo-2-propyl-pyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate CAS Name: benzoic acid 4-(4-chloro-5-cyano-3-oxo-2-propyl-7-pyrrolo[2,3-c]pyridazinyl)butyl ester IUPAC Name: 4-(4-chloro-5-cyano-3-oxo-2-propylpyrrolo[2,3-c]pyridazin-7-yl)butyl benzoate Traditional Name: benzoic acid 4-(4-chloro-5-cyano-3-keto-2-propyl-pyrrolo[2,3-c]pyridazin-7-yl)butyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C2C(=CN(C2=N1)CCCCOC(=O)C3=CC=CC=C3)C#N)Cl

Isomeric SMILES

CCCN1C(=O)C(=C2C(=CN(C2=N1)CCCCOC(=O)C3=CC=CC=C3)C#N)Cl

InChI

InChI=1S/C21H21ClN4O3/c1-2-10-26-20(27)18(22)17-16(13-23)14-25(19(17)24-26)11-6-7-12-29-21(28)15-8-4-3-5-9-15/h3-5,8-9,14H,2,6-7,10-12H2,1H3