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

Systemtic Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C28H36ClN5O MolecularWeight: 494.07134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H36ClN5O/c1-18-25(14-20-3-5-24(29)6-4-20)26(31-19(2)30-18)33-7-9-34(10-8-33)27(35)32-28-15-21-11-22(16-28)13-23(12-21)17-28/h3-6,21-23H,7-17H2,1-2H3,(H,32,35)