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

Systemtic Name: 3,3-dimethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]butan-1-one Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CC(C)(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)CC(C)(C)C)C

InChI

InChI=1S/C22H30N4O/c1-16-7-6-8-18(13-16)21-23-17(2)14-19(24-21)25-9-11-26(12-10-25)20(27)15-22(3,4)5/h6-8,13-14H,9-12,15H2,1-5H3