3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]pyrrolidine-1-carboxamide

Systemtic Name: 3-[[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]amino]pyrrolidine-1-carboxamide Openeye Name: 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]pyrrolidine-1-carboxamide CAS Name: 3-[4-cyano-2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]anilino]-1-pyrrolidinecarboxamide IUPAC Name: 3-[4-cyano-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]anilino]pyrrolidine-1-carboxamide Traditional Name: 3-[4-cyano-2-(veratrylcarbamoyl)anilino]pyrrolidine-1-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCN(C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCN(C3)C(=O)N)OC

InChI

InChI=1S/C22H25N5O4/c1-30-19-6-4-15(10-20(19)31-2)12-25-21(28)17-9-14(11-23)3-5-18(17)26-16-7-8-27(13-16)22(24)29/h3-6,9-10,16,26H,7-8,12-13H2,1-2H3,(H2,24,29)(H,25,28)