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

Systemtic Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-(4-chlorobenzyl)-6-ethyl-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C29H38ClN5O MolecularWeight: 508.09792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)CC6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H38ClN5O/c1-3-26-25(15-20-4-6-24(30)7-5-20)27(32-19(2)31-26)34-8-10-35(11-9-34)28(36)33-29-16-21-12-22(17-29)14-23(13-21)18-29/h4-7,21-23H,3,8-18H2,1-2H3,(H,33,36)