N-[4-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-naphthoyl)piperazino]phenyl]-piperonylamide Formula: C29H25N3O4 MolecularWeight: 479.5265

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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=C6C=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H25N3O4/c33-28(22-7-12-26-27(18-22)36-19-35-26)30-24-8-10-25(11-9-24)31-13-15-32(16-14-31)29(34)23-6-5-20-3-1-2-4-21(20)17-23/h1-12,17-18H,13-16,19H2,(H,30,33)