N-(1-adamantyl)-4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C33H38FN5O MolecularWeight: 539.686123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H38FN5O/c1-22-29(17-23-6-3-2-4-7-23)31(36-30(35-22)27-8-5-9-28(34)18-27)38-10-12-39(13-11-38)32(40)37-33-19-24-14-25(20-33)16-26(15-24)21-33/h2-9,18,24-26H,10-17,19-21H2,1H3,(H,37,40)