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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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