(5S,7R)-3-chloranyl-N-(2,6-diethylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(2,6-diethylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-(2,6-diethylphenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-(2,6-diethylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(2,6-diethylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-(2,6-diethylphenyl)adamantane-1-carboxamide Formula: C21H28ClNO MolecularWeight: 345.90612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H28ClNO/c1-3-16-6-5-7-17(4-2)18(16)23-19(24)20-9-14-8-15(10-20)12-21(22,11-14)13-20/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,23,24)/t14-,15+,20?,21?