1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[2,6-dimethyl-5-(m-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[2,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-yl]piperazino]octan-1-one Formula: C26H38N4O MolecularWeight: 422.60612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O/c1-5-6-7-8-9-13-25(31)29-14-16-30(17-15-29)26-24(21(3)27-22(4)28-26)19-23-12-10-11-20(2)18-23/h10-12,18H,5-9,13-17,19H2,1-4H3