3-(3-chloranyl-4-methyl-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C22H29ClN4O MolecularWeight: 400.94486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)Cl

InChI

InChI=1S/C22H29ClN4O/c1-15(2)22-24-17(4)13-20(25-22)26-9-11-27(12-10-26)21(28)8-7-18-6-5-16(3)19(23)14-18/h5-6,13-15H,7-12H2,1-4H3