1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[6-methyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[6-methyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-4-24(31)29-13-15-30(16-14-29)26-23(18-21-10-8-9-19(2)17-21)20(3)27-25(28-26)22-11-6-5-7-12-22/h5-12,17H,4,13-16,18H2,1-3H3