N-[4-(azepan-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C22H30N6O MolecularWeight: 394.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c29-21(18-26-14-16-28(17-15-26)22-23-10-5-11-24-22)25-19-6-8-20(9-7-19)27-12-3-1-2-4-13-27/h5-11H,1-4,12-18H2,(H,25,29)