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

Systemtic Name: 1-adamantyl-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]methanone Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O/c1-18-4-3-5-23(10-18)25-28-19(2)11-24(29-25)30-6-8-31(9-7-30)26(32)27-15-20-12-21(16-27)14-22(13-20)17-27/h3-5,10-11,20-22H,6-9,12-17H2,1-2H3