N-[4-(4-hexanoylpiperazin-1-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(4-hexanoylpiperazin-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(4-caproylpiperazino)phenyl]adamantane-1-carboxamide Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N3O2/c1-2-3-4-5-25(31)30-12-10-29(11-13-30)24-8-6-23(7-9-24)28-26(32)27-17-20-14-21(18-27)16-22(15-20)19-27/h6-9,20-22H,2-5,10-19H2,1H3,(H,28,32)