N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]adamantane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33N5O2/c33-24(31-8-10-32(11-9-31)26-28-6-1-7-29-26)23-4-2-19(3-5-23)18-30-25(34)27-15-20-12-21(16-27)14-22(13-20)17-27/h1-7,20-22H,8-18H2,(H,30,34)