4-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-keto-propyl]benzonitrile Formula: C22H24FN3O2 MolecularWeight: 381.443263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C22H24FN3O2/c1-28-21-8-6-19(14-20(21)23)16-25-10-12-26(13-11-25)22(27)9-7-17-2-4-18(15-24)5-3-17/h2-6,8,14H,7,9-13,16H2,1H3