(5S,7R)-N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-chloro-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-chloroadamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-(piperonylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H27ClN2O4/c27-26-11-17-7-18(12-26)10-25(9-17,14-26)24(31)29-20-4-2-1-3-19(20)23(30)28-13-16-5-6-21-22(8-16)33-15-32-21/h1-6,8,17-18H,7,9-15H2,(H,28,30)(H,29,31)/t17-,18+,25?,26?