5-bromanyl-N-[2-(4-ethanoylpiperazin-1-yl)phenyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[2-(4-ethanoylpiperazin-1-yl)phenyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[2-(4-acetyl-1-piperazinyl)phenyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[2-(4-acetylpiperazino)phenyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)OC

InChI

InChI=1S/C21H24BrN3O3/c1-14-12-16(22)13-17(20(14)28-3)21(27)23-18-6-4-5-7-19(18)25-10-8-24(9-11-25)15(2)26/h4-7,12-13H,8-11H2,1-3H3,(H,23,27)