N-butyl-N-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]adamantane-1-carboxamide

Systemtic Name: N-butyl-N-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]adamantane-1-carboxamide Openeye Name: N-butyl-N-[4-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]adamantane-1-carboxamide CAS Name: N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]-1-adamantanecarboxamide IUPAC Name: N-butyl-N-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]adamantane-1-carboxamide Traditional Name: N-butyl-N-[4-(6-fluorobenzothiophen-3-yl)piperazino]adamantane-1-carboxamide Formula: C27H36FN3OS MolecularWeight: 469.657643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=CSC6=C5C=CC(=C6)F

Isomeric SMILES

CCCCN(C(=O)C12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=CSC6=C5C=CC(=C6)F

InChI

InChI=1S/C27H36FN3OS/c1-2-3-6-31(26(32)27-15-19-11-20(16-27)13-21(12-19)17-27)30-9-7-29(8-10-30)24-18-33-25-14-22(28)4-5-23(24)25/h4-5,14,18-21H,2-3,6-13,15-17H2,1H3