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

Systemtic Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C33H38ClN5O MolecularWeight: 556.14072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5)CC7=CC=CC=C7

InChI

InChI=1S/C33H38ClN5O/c1-22-29(18-23-5-3-2-4-6-23)31(36-30(35-22)27-7-9-28(34)10-8-27)38-11-13-39(14-12-38)32(40)37-33-19-24-15-25(20-33)17-26(16-24)21-33/h2-10,24-26H,11-21H2,1H3,(H,37,40)