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

Systemtic Name: (5S,7R)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-chloranyl-N-methyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[(5-bromo-2-methoxy-phenyl)methyl]-3-chloro-N-methyl-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloro-N-methyl-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloro-N-methyladamantane-1-carboxamide Traditional Name: (5S,7R)-N-(5-bromo-2-methoxy-benzyl)-3-chloro-N-methyl-adamantane-1-carboxamide Formula: C20H25BrClNO2 MolecularWeight: 426.775

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrClNO2/c1-23(11-15-6-16(21)3-4-17(15)25-2)18(24)19-7-13-5-14(8-19)10-20(22,9-13)12-19/h3-4,6,13-14H,5,7-12H2,1-2H3/t13-,14+,19?,20?