1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(3,4-dimethoxyphenyl)-N-(3-ethynylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#C)OC

InChI

InChI=1S/C21H20N2O4/c1-4-14-6-5-7-16(10-14)22-21(25)15-11-20(24)23(13-15)17-8-9-18(26-2)19(12-17)27-3/h1,5-10,12,15H,11,13H2,2-3H3,(H,22,25)