1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]nonan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2C(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H40N4O/c1-5-6-7-8-9-13-16-24(32)30-17-19-31(20-18-30)27-25(21(2)3)22(4)28-26(29-27)23-14-11-10-12-15-23/h10-12,14-15,21H,5-9,13,16-20H2,1-4H3