N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-benzamide

Systemtic Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-benzamide Openeye Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-iodo-benzamide CAS Name: N-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-2-iodobenzamide IUPAC Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-iodobenzamide Traditional Name: N-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-2-iodo-benzamide Formula: C21H24IN3O2 MolecularWeight: 477.33863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3I)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3I)C

InChI

InChI=1S/C21H24IN3O2/c1-15-6-5-9-19(16(15)2)24-10-12-25(13-11-24)20(26)14-23-21(27)17-7-3-4-8-18(17)22/h3-9H,10-14H2,1-2H3,(H,23,27)