3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-pyrrolidine-2,5-dione Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]-1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-pyrrolidine-2,5-dione CAS Name: 3-[2-(1-azocanyl)-2-oxoethyl]-1-(1,3-benzodioxol-5-ylmethyl)-3-phenylpyrrolidine-2,5-dione IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]-1-(1,3-benzodioxol-5-ylmethyl)-3-phenylpyrrolidine-2,5-dione Traditional Name: 3-[2-(azocan-1-yl)-2-keto-ethyl]-3-phenyl-1-piperonyl-pyrrolidine-2,5-quinone Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CC2(CC(=O)N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CCC1)C(=O)CC2(CC(=O)N(C2=O)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O5/c30-24(28-13-7-2-1-3-8-14-28)16-27(21-9-5-4-6-10-21)17-25(31)29(26(27)32)18-20-11-12-22-23(15-20)34-19-33-22/h4-6,9-12,15H,1-3,7-8,13-14,16-19H2