(5S,7R)-3-chloranyl-N-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(o-tolylmethylamino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-[(2-methylbenzyl)amino]ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-14-4-2-3-5-17(14)11-23-18(25)12-24-19(26)20-7-15-6-16(8-20)10-21(22,9-15)13-20/h2-5,15-16H,6-13H2,1H3,(H,23,25)(H,24,26)/t15-,16+,20?,21?