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

Systemtic Name: 1-adamantyl-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[2,6-dimethyl-5-(m-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[2,6-dimethyl-5-(3-methylbenzyl)pyrimidin-4-yl]piperazino]methanone Formula: C29H38N4O MolecularWeight: 458.63822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C29H38N4O/c1-19-5-4-6-22(11-19)15-26-20(2)30-21(3)31-27(26)32-7-9-33(10-8-32)28(34)29-16-23-12-24(17-29)14-25(13-23)18-29/h4-6,11,23-25H,7-10,12-18H2,1-3H3