(5S,7R)-3-chloranyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(p-anisylamino)ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-27-17-4-2-14(3-5-17)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?