2-[4-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-bromanyl-2,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-bromo-2,5-dimethoxy-benzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-bromo-2,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-bromo-2,5-dimethoxy-benzoyl)piperazino]-N-(2,3-dimethylphenyl)acetamide Formula: C23H28BrN3O4 MolecularWeight: 490.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3OC)Br)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3OC)Br)OC)C

InChI

InChI=1S/C23H28BrN3O4/c1-15-6-5-7-20(16(15)2)25-21(28)14-26-8-10-27(11-9-26)23(29)18-12-17(30-3)13-19(24)22(18)31-4/h5-7,12-13H,8-11,14H2,1-4H3,(H,25,28)