3-oxidanylidene-2-[1-[4-(phenylmethyl)piperazin-1-yl]ethenyl]inden-1-olate

Systemtic Name: 3-oxidanylidene-2-[1-[4-(phenylmethyl)piperazin-1-yl]ethenyl]inden-1-olate Openeye Name: 2-[1-(4-benzylpiperazin-1-yl)vinyl]-3-oxo-inden-1-olate CAS Name: 3-oxo-2-[1-[4-(phenylmethyl)-1-piperazinyl]ethenyl]-1-indenolate IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)ethenyl]-3-oxoinden-1-olate Traditional Name: 2-[1-(4-benzylpiperazino)vinyl]-3-keto-inden-1-olate Formula: C22H21N2O2- MolecularWeight: 345.41434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c1-16(20-21(25)18-9-5-6-10-19(18)22(20)26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,25H,1,11-15H2/p-1