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

Systemtic Name: N-[4-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(benzofuran-2-carbonyl)piperazino]phenyl]-piperonylamide Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C27H23N3O5/c31-26(19-5-10-23-24(16-19)34-17-33-23)28-20-6-8-21(9-7-20)29-11-13-30(14-12-29)27(32)25-15-18-3-1-2-4-22(18)35-25/h1-10,15-16H,11-14,17H2,(H,28,31)