6-(3-azanylpropyl)-3-[(4-iodophenyl)methyl]-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione

Systemtic Name: 6-(3-azanylpropyl)-3-[(4-iodophenyl)methyl]-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione Openeye Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-[(4-iodophenyl)methyl]piperazine-2,5-dione CAS Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-iodophenyl)methyl]piperazine-2,5-dione IUPAC Name: 6-(3-aminopropyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-iodophenyl)methyl]piperazine-2,5-dione Traditional Name: 6-(3-aminopropyl)-3-(4-iodobenzyl)-1-vanillyl-piperazine-2,5-quinone Formula: C22H26IN3O4 MolecularWeight: 523.36401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(C(=O)NC(C2=O)CC3=CC=C(C=C3)I)CCCN)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(C(=O)NC(C2=O)CC3=CC=C(C=C3)I)CCCN)O

InChI

InChI=1S/C22H26IN3O4/c1-30-20-12-15(6-9-19(20)27)13-26-18(3-2-10-24)21(28)25-17(22(26)29)11-14-4-7-16(23)8-5-14/h4-9,12,17-18,27H,2-3,10-11,13,24H2,1H3,(H,25,28)