N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C29H39N5O MolecularWeight: 473.65286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C29H39N5O/c1-19-4-6-22(7-5-19)15-26-20(2)30-21(3)31-27(26)33-8-10-34(11-9-33)28(35)32-29-16-23-12-24(17-29)14-25(13-23)18-29/h4-7,23-25H,8-18H2,1-3H3,(H,32,35)