3-bromanyl-N-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-bromo-benzamide CAS Name: N-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-3-bromobenzamide IUPAC Name: N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3-bromobenzamide Traditional Name: N-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-3-bromo-benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c1-15(26)16-5-7-19(8-6-16)24-9-11-25(12-10-24)20(27)14-23-21(28)17-3-2-4-18(22)13-17/h2-8,13H,9-12,14H2,1H3,(H,23,28)