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

Systemtic Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[6-methyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[6-methyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]butan-1-one Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)CC(C)(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)CC(C)(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H36N4O/c1-21-10-9-11-23(18-21)19-25-22(2)30-27(24-12-7-6-8-13-24)31-28(25)33-16-14-32(15-17-33)26(34)20-29(3,4)5/h6-13,18H,14-17,19-20H2,1-5H3