N-[4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]phenyl]adamantane-1-carboxamide Formula: C27H31BrN2O5 MolecularWeight: 543.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)Br)OC)OC

InChI

InChI=1S/C27H31BrN2O5/c1-33-21-11-20(22(28)24(35-3)23(21)34-2)25(31)29-18-4-6-19(7-5-18)30-26(32)27-12-15-8-16(13-27)10-17(9-15)14-27/h4-7,11,15-17H,8-10,12-14H2,1-3H3,(H,29,31)(H,30,32)