5-(3-azanyl-1-pyridin-3-yl-propyl)-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(3-azanyl-1-pyridin-3-yl-propyl)-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-amino-1-(3-pyridyl)propyl]-4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-amino-1-(3-pyridinyl)propyl]-4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(3-amino-1-pyridin-3-ylpropyl)-4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-amino-1-(3-pyridyl)propyl]-4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C15H13ClFN3O MolecularWeight: 305.734623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCN)C2C(=C(C=C(C2=O)C#N)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(CCN)C2C(=C(C=C(C2=O)C#N)F)Cl

InChI

InChI=1S/C15H13ClFN3O/c16-14-12(17)6-10(7-19)15(21)13(14)11(3-4-18)9-2-1-5-20-8-9/h1-2,5-6,8,11,13H,3-4,18H2