4-chloranyl-2-methyl-7-(4-oxidanylbutyl)-3-oxidanylidene-pyrrolo[2,3-c]pyridazine-5-carbonitrile

Systemtic Name: 4-chloranyl-2-methyl-7-(4-oxidanylbutyl)-3-oxidanylidene-pyrrolo[2,3-c]pyridazine-5-carbonitrile Openeye Name: 4-chloro-7-(4-hydroxybutyl)-2-methyl-3-oxo-pyrrolo[2,3-c]pyridazine-5-carbonitrile CAS Name: 4-chloro-7-(4-hydroxybutyl)-2-methyl-3-oxo-5-pyrrolo[2,3-c]pyridazinecarbonitrile IUPAC Name: 4-chloro-7-(4-hydroxybutyl)-2-methyl-3-oxopyrrolo[2,3-c]pyridazine-5-carbonitrile Traditional Name: 4-chloro-7-(4-hydroxybutyl)-3-keto-2-methyl-pyrrolo[2,3-c]pyridazine-5-carbonitrile Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2C(=CN(C2=N1)CCCCO)C#N)Cl

Isomeric SMILES

CN1C(=O)C(=C2C(=CN(C2=N1)CCCCO)C#N)Cl

InChI

InChI=1S/C12H13ClN4O2/c1-16-12(19)10(13)9-8(6-14)7-17(11(9)15-16)4-2-3-5-18/h7,18H,2-5H2,1H3