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

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]-2-phenyl-butan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=C(C=CC(=C4)C)C)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=C(C=CC(=C4)C)C)C)C

InChI

InChI=1S/C29H36N4O/c1-6-26(24-10-8-7-9-11-24)29(34)33-16-14-32(15-17-33)28-27(22(4)30-23(5)31-28)19-25-18-20(2)12-13-21(25)3/h7-13,18,26H,6,14-17,19H2,1-5H3