3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxaline-2-carbonitrile

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxaline-2-carbonitrile Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxaline-2-carbonitrile CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinecarbonitrile IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxaline-2-carbonitrile Traditional Name: 3-(4-piperonylpiperazino)quinoxaline-2-carbonitrile Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4C#N

InChI

InChI=1S/C21H19N5O2/c22-12-18-21(24-17-4-2-1-3-16(17)23-18)26-9-7-25(8-10-26)13-15-5-6-19-20(11-15)28-14-27-19/h1-6,11H,7-10,13-14H2