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

Systemtic Name: N-(1-adamantyl)-4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C27H35N5O/c1-18-3-5-23(6-4-18)25-28-19(2)11-24(29-25)31-7-9-32(10-8-31)26(33)30-27-15-20-12-21(16-27)14-22(13-20)17-27/h3-6,11,20-22H,7-10,12-17H2,1-2H3,(H,30,33)