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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]butan-1-one Formula: C23H31ClN4O2 MolecularWeight: 430.97084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCOC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCCOC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C23H31ClN4O2/c1-16(2)23-25-18(4)15-21(26-23)27-9-11-28(12-10-27)22(29)6-5-13-30-19-7-8-20(24)17(3)14-19/h7-8,14-16H,5-6,9-13H2,1-4H3