3-(1,3-benzodioxol-5-yl)-3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]pentanoate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]pentanoate Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]pentanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]pentanoate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]pentanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]valerate Formula: C25H25N4O6- MolecularWeight: 477.4892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)[O-])(C1=CC2=C(C=C1)OCO2)NC(=O)CN3CCN(CC3=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCC(CC(=O)[O-])(C1=CC2=C(C=C1)OCO2)NC(=O)CN3CCN(CC3=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O6/c1-2-25(12-24(32)33,18-5-8-20-21(11-18)35-16-34-20)27-22(30)14-29-10-9-28(15-23(29)31)19-6-3-17(13-26)4-7-19/h3-8,11H,2,9-10,12,14-16H2,1H3,(H,27,30)(H,32,33)/p-1