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

Systemtic Name: 3a-cyano-7a-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1,3-benzodioxole-5-carboxamide Openeye Name: 3a-cyano-N-phenyl-7a-(4-tetrahydropyran-4-ylpiperazin-1-yl)-1,3-benzodioxole-5-carboxamide CAS Name: 3a-cyano-7a-[4-(4-oxanyl)-1-piperazinyl]-N-phenyl-1,3-benzodioxole-5-carboxamide IUPAC Name: 3a-cyano-7a-[4-(oxan-4-yl)piperazin-1-yl]-N-phenyl-1,3-benzodioxole-5-carboxamide Traditional Name: 3a-cyano-N-phenyl-7a-(4-tetrahydropyran-4-ylpiperazino)-piperonylamide Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2CCN(CC2)C34C=CC(=CC3(OCO4)C#N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1COCCC1N2CCN(CC2)C34C=CC(=CC3(OCO4)C#N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C24H28N4O4/c25-17-23-16-19(22(29)26-20-4-2-1-3-5-20)6-9-24(23,32-18-31-23)28-12-10-27(11-13-28)21-7-14-30-15-8-21/h1-6,9,16,21H,7-8,10-15,18H2,(H,26,29)