1-adamantyl-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C28H36N4O/c1-18-5-4-6-24(11-18)25-29-20(3)19(2)26(30-25)31-7-9-32(10-8-31)27(33)28-15-21-12-22(16-28)14-23(13-21)17-28/h4-6,11,21-23H,7-10,12-17H2,1-3H3