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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6

InChI

InChI=1S/C28H36N4O/c1-19-25(15-21-6-4-3-5-7-21)26(30-20(2)29-19)31-8-10-32(11-9-31)27(33)28-16-22-12-23(17-28)14-24(13-22)18-28/h3-7,22-24H,8-18H2,1-2H3