5-[4-azanyl-1-(1-methylimidazol-2-yl)butyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile hydrochloride

Systemtic Name: 5-[4-azanyl-1-(1-methylimidazol-2-yl)butyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile hydrochloride Openeye Name: 5-[4-amino-1-(1-methylimidazol-2-yl)butyl]-4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile hydrochloride CAS Name: 5-[4-amino-1-(1-methyl-2-imidazolyl)butyl]-4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile hydrochloride IUPAC Name: 5-[4-amino-1-(1-methylimidazol-2-yl)butyl]-4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile hydrochloride Traditional Name: 5-[4-amino-1-(1-methylimidazol-2-yl)butyl]-4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile hydrochloride Formula: C15H17Cl2FN4O MolecularWeight: 359.226083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(CCCN)C2C(=C(C=C(C2=O)C#N)F)Cl.Cl

Isomeric SMILES

CN1C=CN=C1C(CCCN)C2C(=C(C=C(C2=O)C#N)F)Cl.Cl

InChI

InChI=1S/C15H16ClFN4O.ClH/c1-21-6-5-20-15(21)10(3-2-4-18)12-13(16)11(17)7-9(8-19)14(12)22;/h5-7,10,12H,2-4,18H2,1H3;1H