3-(1H-benzimidazol-2-yl)-N-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[2-oxidanyl-3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[2-hydroxy-3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[2-hydroxy-3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]propionamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCC(CNC(=O)CCC3=NC4=CC=CC=C4N3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCC(CNC(=O)CCC3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C21H22N6O3/c28-13(12-23-20-14-5-1-2-6-15(14)21(30)27-26-20)11-22-19(29)10-9-18-24-16-7-3-4-8-17(16)25-18/h1-8,13,28H,9-12H2,(H,22,29)(H,23,26)(H,24,25)(H,27,30)