2,5-bis(iodanyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 2,5-bis(iodanyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 2,5-diiodo-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 2,5-diiodo-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 2,5-diiodo-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 2,5-diiodo-N-[4-(4-isovalerylpiperazino)phenyl]benzamide Formula: C22H25I2N3O2 MolecularWeight: 617.26174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)I)I

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)I)I

InChI

InChI=1S/C22H25I2N3O2/c1-15(2)13-21(28)27-11-9-26(10-12-27)18-6-4-17(5-7-18)25-22(29)19-14-16(23)3-8-20(19)24/h3-8,14-15H,9-13H2,1-2H3,(H,25,29)