2-[8-chloranyl-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanamide

Systemtic Name: 2-[8-chloranyl-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanamide Openeye Name: 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide CAS Name: 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide IUPAC Name: 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide Traditional Name: 2-[8-chloro-3-(4-hydroxybenzyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetamide Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC(=O)N)CC4=CC=C(C=C4)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=NC(C(=O)N(C3=C2C=CC(=C3)Cl)CC(=O)N)CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H20ClN3O4/c25-16-6-9-19-21(12-16)28(13-22(26)31)24(32)20(10-14-4-7-17(29)8-5-14)27-23(19)15-2-1-3-18(30)11-15/h1-9,11-12,20,29-30H,10,13H2,(H2,26,31)