3-cyano-N-[[4-fluoranyl-3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Systemtic Name: 3-cyano-N-[[4-fluoranyl-3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Openeye Name: 3-cyano-N-[[4-fluoro-3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide CAS Name: 3-cyano-N-[[4-fluoro-3-[4-methoxy-3-(1-piperazinylmethyl)phenyl]phenyl]methyl]benzamide IUPAC Name: 3-cyano-N-[[4-fluoro-3-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Traditional Name: 3-cyano-N-[4-fluoro-3-[4-methoxy-3-(piperazinomethyl)phenyl]benzyl]benzamide Formula: C27H27FN4O2 MolecularWeight: 458.527283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CNC(=O)C3=CC=CC(=C3)C#N)F)CN4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CNC(=O)C3=CC=CC(=C3)C#N)F)CN4CCNCC4

InChI

InChI=1S/C27H27FN4O2/c1-34-26-8-6-21(15-23(26)18-32-11-9-30-10-12-32)24-14-20(5-7-25(24)28)17-31-27(33)22-4-2-3-19(13-22)16-29/h2-8,13-15,30H,9-12,17-18H2,1H3,(H,31,33)