N-[6-[[3,4-bis(oxidanyl)phenyl]methyl]-2-oxidanylidene-5-phenyl-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[6-[[3,4-bis(oxidanyl)phenyl]methyl]-2-oxidanylidene-5-phenyl-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[6-[(3,4-dihydroxyphenyl)methyl]-2-oxo-5-phenyl-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[6-[(3,4-dihydroxyphenyl)methyl]-2-oxo-5-phenyl-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[6-[(3,4-dihydroxyphenyl)methyl]-2-oxo-5-phenyl-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-(2-keto-5-phenyl-6-protocatechuyl-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide Formula: C31H22N4O4 MolecularWeight: 514.53078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=NC(=O)C(=N2)NC(=O)C4=CC5=CC=CC=C5N4)C=CC=C3CC6=CC(=C(C=C6)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=NC(=O)C(=N2)NC(=O)C4=CC5=CC=CC=C5N4)C=CC=C3CC6=CC(=C(C=C6)O)O

InChI

InChI=1S/C31H22N4O4/c36-25-14-13-18(16-26(25)37)15-21-10-6-12-23-27(21)28(19-7-2-1-3-8-19)34-29(31(39)33-23)35-30(38)24-17-20-9-4-5-11-22(20)32-24/h1-14,16-17,32,36-37H,15H2,(H,33,34,35,38,39)