2-(2,3-dimethylphenoxy)-1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 2-(2,3-dimethylphenoxy)-1-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]propan-1-one Formula: C25H35N5O2 MolecularWeight: 437.5777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C(C)OC4=CC=CC(=C4C)C

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C(C)OC4=CC=CC(=C4C)C

InChI

InChI=1S/C25H35N5O2/c1-18-8-10-28(11-9-18)23-16-24(27-17-26-23)29-12-14-30(15-13-29)25(31)21(4)32-22-7-5-6-19(2)20(22)3/h5-7,16-18,21H,8-15H2,1-4H3