3-chloranyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-pyrrolidino-2-(2-thienyl)ethyl]adamantane-1-carboxamide Formula: C21H29ClN2OS MolecularWeight: 392.98576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)C5=CC=CS5

InChI

InChI=1S/C21H29ClN2OS/c22-21-11-15-8-16(12-21)10-20(9-15,14-21)19(25)23-13-17(18-4-3-7-26-18)24-5-1-2-6-24/h3-4,7,15-17H,1-2,5-6,8-14H2,(H,23,25)