3-bromanyl-N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-4-ethoxy-benzamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-3-bromo-4-ethoxy-benzamide Formula: C21H23BrClN3O3 MolecularWeight: 480.78262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)Cl)Br

InChI

InChI=1S/C21H23BrClN3O3/c1-3-29-20-7-4-15(12-17(20)22)21(28)24-16-5-6-19(18(23)13-16)26-10-8-25(9-11-26)14(2)27/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,28)