N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-ethyl]-2-(2-methoxyethyl)-3-oxo-isoindoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-ethyl]-3-keto-2-(2-methoxyethyl)-N-piperonyl-isoindoline-4-carboxamide Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC2=CC=CC(=C2C1=O)C(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5CCCCC5

Isomeric SMILES

COCCN1CC2=CC=CC(=C2C1=O)C(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5CCCCC5

InChI

InChI=1S/C28H33N3O6/c1-35-13-12-30-16-20-6-5-9-22(26(20)28(30)34)27(33)31(17-25(32)29-21-7-3-2-4-8-21)15-19-10-11-23-24(14-19)37-18-36-23/h5-6,9-11,14,21H,2-4,7-8,12-13,15-18H2,1H3,(H,29,32)