2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C23H30ClN5O2 MolecularWeight: 443.9696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCCC3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=NC=NC(=C2)N3CCCCC3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClN5O2/c1-23(2,31-19-8-6-18(24)7-9-19)22(30)29-14-12-28(13-15-29)21-16-20(25-17-26-21)27-10-4-3-5-11-27/h6-9,16-17H,3-5,10-15H2,1-2H3