3-(3H-benzimidazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[(3-hydroxyphenyl)methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(3H-benzimidazol-5-ylmethylamino)-4-[(3-hydroxybenzyl)amino]cyclobut-3-ene-1,2-quinone Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC2=C(C(=O)C2=O)NCC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C19H16N4O3/c24-13-3-1-2-11(6-13)8-20-16-17(19(26)18(16)25)21-9-12-4-5-14-15(7-12)23-10-22-14/h1-7,10,20-21,24H,8-9H2,(H,22,23)