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

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]hexan-1-one Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C30H38N4O/c1-5-6-8-13-28(35)33-16-18-34(19-17-33)30-27(21-26-20-22(2)14-15-23(26)3)24(4)31-29(32-30)25-11-9-7-10-12-25/h7,9-12,14-15,20H,5-6,8,13,16-19,21H2,1-4H3