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

Systemtic Name: 3-chloranyl-2,2-dimethyl-1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-chloro-2,2-dimethyl-1-[4-[6-methyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-1-one Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN4O/c1-20-9-8-10-22(17-20)18-24-21(2)30-25(23-11-6-5-7-12-23)31-26(24)32-13-15-33(16-14-32)27(34)28(3,4)19-29/h5-12,17H,13-16,18-19H2,1-4H3