3-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[3-(1H-benzimidazol-2-yl)piperidino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H21N5O3/c28-19(13-27-22(30)16-8-2-1-7-15(16)21(29)25-27)26-11-5-6-14(12-26)20-23-17-9-3-4-10-18(17)24-20/h1-4,7-10,14H,5-6,11-13H2,(H,23,24)(H,25,29)