(5S,7R)-3-bromanyl-N-(3-chloranyl-4-methoxy-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(3-chloranyl-4-methoxy-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(3-chloro-4-methoxy-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(3-chloro-4-methoxyphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(3-chloro-4-methoxyphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(3-chloro-4-methoxy-phenyl)adamantane-1-carboxamide Formula: C18H21BrClNO2 MolecularWeight: 398.72184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrClNO2/c1-23-15-3-2-13(5-14(15)20)21-16(22)17-6-11-4-12(7-17)9-18(19,8-11)10-17/h2-3,5,11-12H,4,6-10H2,1H3,(H,21,22)/t11-,12+,17?,18?