N-[4-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[1-(4-pyridylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[oxo-[1-(pyridin-4-ylmethyl)-4-piperidinyl]methyl]-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[1-(4-pyridylmethyl)isonipecotoyl]piperazino]methyl]phenyl]acetamide Formula: C25H33N5O2 MolecularWeight: 435.56182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H33N5O2/c1-20(31)27-24-4-2-21(3-5-24)18-29-14-16-30(17-15-29)25(32)23-8-12-28(13-9-23)19-22-6-10-26-11-7-22/h2-7,10-11,23H,8-9,12-19H2,1H3,(H,27,31)