3a-cyano-7a-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: 3a-cyano-7a-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-1,3-benzodioxole-5-carboxamide Openeye Name: 3a-cyano-7a-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-1,3-benzodioxole-5-carboxamide CAS Name: 3a-cyano-7a-[4-(2-hydroxyethyl)-1-piperazinyl]-N-phenyl-1,3-benzodioxole-5-carboxamide IUPAC Name: 3a-cyano-7a-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenyl-1,3-benzodioxole-5-carboxamide Traditional Name: 3a-cyano-7a-[4-(2-hydroxyethyl)piperazino]-N-phenyl-piperonylamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C23C=CC(=CC2(OCO3)C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C23C=CC(=CC2(OCO3)C#N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O4/c22-15-20-14-17(19(27)23-18-4-2-1-3-5-18)6-7-21(20,29-16-28-20)25-10-8-24(9-11-25)12-13-26/h1-7,14,26H,8-13,16H2,(H,23,27)