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

Systemtic Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]heptan-1-one Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-5-6-7-11-14-22(30)28-15-17-29(18-16-28)25-23(19(2)3)20(4)26-24(27-25)21-12-9-8-10-13-21/h8-10,12-13,19H,5-7,11,14-18H2,1-4H3