3-cyano-N-[[4-methoxy-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide

Systemtic Name: 3-cyano-N-[[4-methoxy-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide Openeye Name: 3-cyano-N-[[4-methoxy-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide CAS Name: 3-cyano-N-[[4-methoxy-3-[3-[[(3S)-3-methyl-1-piperazinyl]methyl]phenyl]phenyl]methyl]benzamide IUPAC Name: 3-cyano-N-[[4-methoxy-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide Traditional Name: 3-cyano-N-[4-methoxy-3-[3-[[(3S)-3-methylpiperazino]methyl]phenyl]benzyl]benzamide Formula: C28H30N4O2 MolecularWeight: 454.5634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

C[C@H]1CN(CCN1)CC2=CC=CC(=C2)C3=C(C=CC(=C3)CNC(=O)C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C28H30N4O2/c1-20-18-32(12-11-30-20)19-23-6-4-7-24(14-23)26-15-22(9-10-27(26)34-2)17-31-28(33)25-8-3-5-21(13-25)16-29/h3-10,13-15,20,30H,11-12,17-19H2,1-2H3,(H,31,33)/t20-/m0/s1