4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitro-quinolin-2-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitro-quinolin-2-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitro-quinolin-2-one CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-ethyl-3-nitro-2-quinolinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-ethyl-3-nitroquinolin-2-one Traditional Name: 1-ethyl-3-nitro-4-(4-piperonylpiperazino)carbostyril Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O5/c1-2-26-18-6-4-3-5-17(18)21(22(23(26)28)27(29)30)25-11-9-24(10-12-25)14-16-7-8-19-20(13-16)32-15-31-19/h3-8,13H,2,9-12,14-15H2,1H3