DIZ

(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID

Created: 2004-05-10
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count2
Bond Count50
Aromatic Bond Count18
2D diagram of DIZ
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Chemical Component Summary

Name(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID
SynonymsDI-CHLORO-BENZO-DIAZEPINE
Systematic Name (OpenEye OEToolkits)(2S)-2-(4-chlorophenyl)-2-[(3S)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]ethanoic acid
FormulaC23 H15 Cl2 I N2 O4
Molecular Weight581.187
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc1ccc(cc1)C(C(=O)O)N3C(=O)c4cc(I)ccc4NC(=O)C3c2ccc(Cl)cc2
SMILESCACTVS3.341OC(=O)[CH](N1[CH](C(=O)Nc2ccc(I)cc2C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C2C(=O)Nc3ccc(cc3C(=O)N2C(c4ccc(cc4)Cl)C(=O)O)I)Cl
Canonical SMILESCACTVS3.341 OC(=O)[C@@H](N1[C@H](C(=O)Nc2ccc(I)cc2C1=O)c3ccc(Cl)cc3)c4ccc(Cl)cc4
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1[C@H]2C(=O)Nc3ccc(cc3C(=O)N2[C@@H](c4ccc(cc4)Cl)C(=O)O)I)Cl
InChIInChI1.03 InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
InChIKeyInChI1.03 HQEQUYKKMMKSSX-PMACEKPBSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL361103
PubChem 656933
ChEMBL CHEMBL361103