6-[3-[[2-(3H-benzimidazol-5-yloxy)-2-oxidanyl-ethyl]amino]butyl]-2,3-dihydrophthalazine-1,4-dione

Systemtic Name: 6-[3-[[2-(3H-benzimidazol-5-yloxy)-2-oxidanyl-ethyl]amino]butyl]-2,3-dihydrophthalazine-1,4-dione Openeye Name: 6-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxy-ethyl]amino]butyl]-2,3-dihydrophthalazine-1,4-dione CAS Name: 6-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxyethyl]amino]butyl]-2,3-dihydrophthalazine-1,4-dione IUPAC Name: 6-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxyethyl]amino]butyl]-2,3-dihydrophthalazine-1,4-dione Traditional Name: 6-[3-[[2-(3H-benzimidazol-5-yloxy)-2-hydroxy-ethyl]amino]butyl]-2,3-dihydrophthalazine-1,4-quinone Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)C(=O)NNC2=O)NCC(O)OC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)C(=O)NNC2=O)NCC(O)OC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H23N5O4/c1-12(2-3-13-4-6-15-16(8-13)21(29)26-25-20(15)28)22-10-19(27)30-14-5-7-17-18(9-14)24-11-23-17/h4-9,11-12,19,22,27H,2-3,10H2,1H3,(H,23,24)(H,25,28)(H,26,29)