4-[(E)-3-[4-(4-ethylpiperazin-1-yl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-(4-ethylpiperazin-1-yl)-3-fluoranyl-phenyl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-(4-ethylpiperazin-1-yl)-3-fluoro-phenyl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-(4-ethyl-1-piperazinyl)-3-fluorophenyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[4-(4-ethylpiperazino)-3-fluoro-phenyl]-3-keto-prop-1-enyl]benzonitrile Formula: C22H22FN3O MolecularWeight: 363.427983

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C22H22FN3O/c1-2-25-11-13-26(14-12-25)21-9-8-19(15-20(21)23)22(27)10-7-17-3-5-18(16-24)6-4-17/h3-10,15H,2,11-14H2,1H3/b10-7+