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

Systemtic Name: N-[1-[[3,4-bis(oxidanyl)phenyl]methyl]-2-oxidanylidene-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[1-[(3,4-dihydroxyphenyl)methyl]-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[1-[(3,4-dihydroxyphenyl)methyl]-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[1-[(3,4-dihydroxyphenyl)methyl]-2-oxo-5-phenyl-5H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-(2-keto-5-phenyl-1-protocatechuyl-5H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide Formula: C31H24N4O4 MolecularWeight: 516.54666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3N(C(=O)C(=N2)NC(=O)C4=CC5=CC=CC=C5N4)CC6=CC(=C(C=C6)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3N(C(=O)C(=N2)NC(=O)C4=CC5=CC=CC=C5N4)CC6=CC(=C(C=C6)O)O

InChI

InChI=1S/C31H24N4O4/c36-26-15-14-19(16-27(26)37)18-35-25-13-7-5-11-22(25)28(20-8-2-1-3-9-20)33-29(31(35)39)34-30(38)24-17-21-10-4-6-12-23(21)32-24/h1-17,28,32,36-37H,18H2,(H,33,34,38)