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

Systemtic Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3-chloro-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3-chloroadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-3-chloro-adamantane-1-carboxamide Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=CC=CC=C4C(=O)NC5=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)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H25ClN2O4/c26-25-11-15-7-16(12-25)10-24(9-15,13-25)23(30)28-19-4-2-1-3-18(19)22(29)27-17-5-6-20-21(8-17)32-14-31-20/h1-6,8,15-16H,7,9-14H2,(H,27,29)(H,28,30)/t15-,16+,24?,25?