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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CSC6=C5C=CC(=C6)F

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CSC6=C5C=CC(=C6)F

InChI

InChI=1S/C27H36FN3OS/c28-22-3-4-23-24(18-33-25(23)14-22)31-9-7-30(8-10-31)6-2-1-5-29-26(32)27-15-19-11-20(16-27)13-21(12-19)17-27/h3-4,14,18-21H,1-2,5-13,15-17H2,(H,29,32)