N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-N'-isopropyl-oxamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-propan-2-yloxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-N'-isopropyl-oxamide Formula: C23H31N5O2 MolecularWeight: 409.52454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C(=O)NCC(C1=CN=CC=C1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O2/c1-18(2)26-23(30)22(29)25-16-21(20-9-6-10-24-15-20)28-13-11-27(12-14-28)17-19-7-4-3-5-8-19/h3-10,15,18,21H,11-14,16-17H2,1-2H3,(H,25,29)(H,26,30)