5-[3-(2-azanylethylamino)-1-phenyl-propyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-(2-azanylethylamino)-1-phenyl-propyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-(2-aminoethylamino)-1-phenyl-propyl]-4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-(2-aminoethylamino)-1-phenylpropyl]-4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-(2-aminoethylamino)-1-phenylpropyl]-4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-(2-aminoethylamino)-1-phenyl-propyl]-4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C18H19ClFN3O MolecularWeight: 347.814363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3O/c19-17-15(20)10-13(11-22)18(24)16(17)14(6-8-23-9-7-21)12-4-2-1-3-5-12/h1-5,10,14,16,23H,6-9,21H2