N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(2,5-dimethylphenyl)-5-keto-N-piperonyl-pyrrolidine-3-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC(CC2=O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c1-13-3-4-14(2)17(7-13)23-11-16(9-20(23)24)21(25)22-10-15-5-6-18-19(8-15)27-12-26-18/h3-8,16H,9-12H2,1-2H3,(H,22,25)