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

Systemtic Name: 1-adamantyl-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazino]methanone Formula: C29H37ClN4O MolecularWeight: 493.08328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H37ClN4O/c1-3-26-25(15-20-4-6-24(30)7-5-20)27(32-19(2)31-26)33-8-10-34(11-9-33)28(35)29-16-21-12-22(17-29)14-23(13-21)18-29/h4-7,21-23H,3,8-18H2,1-2H3