(5S,7R)-3-chloranyl-N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-13-3-4-17(27-2)16(5-13)24-18(25)11-23-19(26)20-7-14-6-15(8-20)10-21(22,9-14)12-20/h3-5,14-15H,6-12H2,1-2H3,(H,23,26)(H,24,25)/t14-,15+,20?,21?