3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)CC(C)(C)C)C(C)C

InChI

InChI=1S/C27H40N4O/c1-19(2)24-21(4)28-25(22-11-9-8-10-12-22)29-26(24)31-15-13-30(14-16-31)23(32)17-20(3)18-27(5,6)7/h8-12,19-20H,13-18H2,1-7H3