N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-3-15-6-4-7-17(10-15)24-20(26)13-23-22(28)16-11-21(27)25(14-16)18-8-5-9-19(12-18)29-2/h1,4-10,12,16H,11,13-14H2,2H3,(H,23,28)(H,24,26)