1-[2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-methyl-N-phenethyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-N-methyl-N-phenethyl-piperidine-4-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-isoindolin-4-yl]-N-methyl-N-phenethyl-piperidine-4-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-4-isoindolyl]-N-methyl-N-phenethyl-4-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-phenethylpiperidine-4-carboxamide Traditional Name: 1-(1,3-diketo-2-piperonyl-isoindolin-4-yl)-N-methyl-N-phenethyl-isonipecotamide Formula: C31H31N3O5 MolecularWeight: 525.59494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H31N3O5/c1-32(15-12-21-6-3-2-4-7-21)29(35)23-13-16-33(17-14-23)25-9-5-8-24-28(25)31(37)34(30(24)36)19-22-10-11-26-27(18-22)39-20-38-26/h2-11,18,23H,12-17,19-20H2,1H3