N-(2-adamantyl)-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanamide

Systemtic Name: N-(2-adamantyl)-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]ethanamide Openeye Name: N-(2-adamantyl)-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-yl-phenoxy]acetamide CAS Name: N-(2-adamantyl)-2-[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(2-pyrimidinyl)phenoxy]acetamide IUPAC Name: N-(2-adamantyl)-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide Traditional Name: N-(2-adamantyl)-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(2-pyrimidyl)phenoxy]acetamide Formula: C33H40N5O2+ MolecularWeight: 538.703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=NC=CC=N3)OCC(=O)NC4C5CC6CC(C5)CC4C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=NC=CC=N3)OCC(=O)NC4C5CC6CC(C5)CC4C6)C7=CC=CC=C7

InChI

InChI=1S/C33H39N5O2/c39-31(36-32-26-16-23-15-24(18-26)19-27(32)17-23)22-40-30-8-7-25(33-34-9-4-10-35-33)20-28(30)21-37-11-13-38(14-12-37)29-5-2-1-3-6-29/h1-10,20,23-24,26-27,32H,11-19,21-22H2,(H,36,39)/p+1