5-(4-azanyl-1-phenyl-butyl)-4-(2-fluoranylethyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(4-azanyl-1-phenyl-butyl)-4-(2-fluoranylethyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(4-amino-1-phenyl-butyl)-4-(2-fluoroethyl)-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-(4-amino-1-phenylbutyl)-4-(2-fluoroethyl)-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(4-amino-1-phenylbutyl)-4-(2-fluoroethyl)-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(4-amino-1-phenyl-butyl)-4-(2-fluoroethyl)-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C19H21FN2O MolecularWeight: 312.381243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN)C2C(=CC=C(C2=O)C#N)CCF

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN)C2C(=CC=C(C2=O)C#N)CCF

InChI

InChI=1S/C19H21FN2O/c20-11-10-15-8-9-16(13-22)19(23)18(15)17(7-4-12-21)14-5-2-1-3-6-14/h1-3,5-6,8-9,17-18H,4,7,10-12,21H2