2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethenyl]-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethenyl]-3-oxidanylidene-inden-1-olate Openeye Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]vinyl]-3-oxo-inden-1-olate CAS Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethenyl]-3-oxo-1-indenolate IUPAC Name: 2-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethenyl]-3-oxoinden-1-olate Traditional Name: 3-keto-2-[1-(4-piperonylpiperazino)vinyl]inden-1-olate Formula: C23H21N2O4- MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C2=CC=CC=C2C1=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=C(C1=C(C2=CC=CC=C2C1=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O4/c1-15(21-22(26)17-4-2-3-5-18(17)23(21)27)25-10-8-24(9-11-25)13-16-6-7-19-20(12-16)29-14-28-19/h2-7,12,26H,1,8-11,13-14H2/p-1