N-[2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O3/c1-25(13-17-8-18(23)3-4-19(17)28-2)20(26)12-24-21(27)22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,24,27)