N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]adamantane-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]adamantane-1-carboxamide Formula: C23H34N2OS MolecularWeight: 386.59386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CSC=C5

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CSC=C5

InChI

InChI=1S/C23H34N2OS/c26-22(23-12-17-9-18(13-23)11-19(10-17)14-23)24-15-21(20-5-8-27-16-20)25-6-3-1-2-4-7-25/h5,8,16-19,21H,1-4,6-7,9-15H2,(H,24,26)