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

Systemtic Name: 3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C22H20N4O4/c27-19(13-26-22(29)16-6-2-1-5-15(16)20(28)24-26)25-11-9-14(10-12-25)21-23-17-7-3-4-8-18(17)30-21/h1-8,14H,9-13H2,(H,24,28)