1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C27H32N4O/c1-5-24(22-11-7-6-8-12-22)27(32)31-16-14-30(15-17-31)26-20(3)21(4)28-25(29-26)23-13-9-10-19(2)18-23/h6-13,18,24H,5,14-17H2,1-4H3