2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1-(2-pyridin-2-ylethyl)-3H-1,4-benzodiazepin-4-yl]ethanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodanyl-2,5-bis(oxidanylidene)-1-(2-pyridin-2-ylethyl)-3H-1,4-benzodiazepin-4-yl]ethanoic acid Openeye Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1-[2-(2-pyridyl)ethyl]-3H-1,4-benzodiazepin-4-yl]acetic acid CAS Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1-[2-(2-pyridinyl)ethyl]-3H-1,4-benzodiazepin-4-yl]acetic acid IUPAC Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1-(2-pyridin-2-ylethyl)-3H-1,4-benzodiazepin-4-yl]acetic acid Traditional Name: 2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-7-iodo-2,5-diketo-1-[2-(2-pyridyl)ethyl]-3H-1,4-benzodiazepin-4-yl]acetic acid Formula: C30H22Cl2IN3O4 MolecularWeight: 686.32385

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C3=C(C=C(C=C3)I)C(=O)N(C(C2=O)C4=CC=C(C=C4)Cl)C(C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCN2C3=C(C=C(C=C3)I)C(=O)N(C(C2=O)C4=CC=C(C=C4)Cl)C(C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C30H22Cl2IN3O4/c31-20-8-4-18(5-9-20)26-29(38)35(16-14-23-3-1-2-15-34-23)25-13-12-22(33)17-24(25)28(37)36(26)27(30(39)40)19-6-10-21(32)11-7-19/h1-13,15,17,26-27H,14,16H2,(H,39,40)