N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-(3,5-dimethyl-1-adamantyl)amine Formula: C27H32BrCl2NO2 MolecularWeight: 553.35848

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC5=C(C=C(C=C5)Cl)Cl)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=C(C(=C4)Br)OCC5=C(C=C(C=C5)Cl)Cl)OC)C

InChI

InChI=1S/C27H32BrCl2NO2/c1-25-9-18-10-26(2,14-25)16-27(11-18,15-25)31-12-17-6-21(28)24(23(7-17)32-3)33-13-19-4-5-20(29)8-22(19)30/h4-8,18,31H,9-16H2,1-3H3