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

Systemtic Name: 3-cyano-N-[[4-methoxy-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Openeye Name: 3-cyano-N-[[4-methoxy-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide CAS Name: 3-cyano-N-[[4-methoxy-3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]benzamide IUPAC Name: 3-cyano-N-[[4-methoxy-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide Traditional Name: 3-cyano-N-[4-methoxy-3-[3-(piperazinomethyl)phenyl]benzyl]benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O2/c1-33-26-9-8-21(18-30-27(32)24-7-2-4-20(14-24)17-28)16-25(26)23-6-3-5-22(15-23)19-31-12-10-29-11-13-31/h2-9,14-16,29H,10-13,18-19H2,1H3,(H,30,32)