N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-cyano-4-[4-(2-hydroxyethyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-cyano-4-[4-(2-hydroxyethyl)piperazino]phenyl]-piperonylamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H22N4O4/c22-13-16-11-17(2-3-18(16)25-7-5-24(6-8-25)9-10-26)23-21(27)15-1-4-19-20(12-15)29-14-28-19/h1-4,11-12,26H,5-10,14H2,(H,23,27)