3-[2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(8-nitro-5-isoquinolyl)piperazino]ethyl]-1,3-benzoxazol-2-one Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H19N5O5/c28-21(14-26-19-3-1-2-4-20(19)32-22(26)29)25-11-9-24(10-12-25)17-5-6-18(27(30)31)16-13-23-8-7-15(16)17/h1-8,13H,9-12,14H2