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

Systemtic Name: 1-adamantyl-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-(2-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]methanone Formula: C28H35ClN4O MolecularWeight: 479.0567

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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=C6Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6Cl

InChI

InChI=1S/C28H35ClN4O/c1-18-24(14-23-5-3-4-6-25(23)29)26(31-19(2)30-18)32-7-9-33(10-8-32)27(34)28-15-20-11-21(16-28)13-22(12-20)17-28/h3-6,20-22H,7-17H2,1-2H3