1-butyl-3-[(4-iodophenyl)methyl]-6-methyl-piperazine-2,5-dione

Systemtic Name: 1-butyl-3-[(4-iodophenyl)methyl]-6-methyl-piperazine-2,5-dione Openeye Name: 1-butyl-3-[(4-iodophenyl)methyl]-6-methyl-piperazine-2,5-dione CAS Name: 1-butyl-3-[(4-iodophenyl)methyl]-6-methylpiperazine-2,5-dione IUPAC Name: 1-butyl-3-[(4-iodophenyl)methyl]-6-methylpiperazine-2,5-dione Traditional Name: 1-butyl-3-(4-iodobenzyl)-6-methyl-piperazine-2,5-quinone Formula: C16H21IN2O2 MolecularWeight: 400.25461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=O)NC(C1=O)CC2=CC=C(C=C2)I)C

Isomeric SMILES

CCCCN1C(C(=O)NC(C1=O)CC2=CC=C(C=C2)I)C

InChI

InChI=1S/C16H21IN2O2/c1-3-4-9-19-11(2)15(20)18-14(16(19)21)10-12-5-7-13(17)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,20)