2-[(E)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[4-(4-fluorobenzyl)piperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C21H20FN3O/c22-20-8-5-17(6-9-20)16-24-11-13-25(14-12-24)21(26)10-7-18-3-1-2-4-19(18)15-23/h1-10H,11-14,16H2/b10-7+