5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-3-ylamino)benzamide

Systemtic Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-3-ylamino)benzamide Openeye Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-3-ylamino)benzamide CAS Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-pyrrolidinylamino)benzamide IUPAC Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(pyrrolidin-3-ylamino)benzamide Traditional Name: 5-cyano-2-(pyrrolidin-3-ylamino)-N-veratryl-benzamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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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)NC3CCNC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCNC3)OC

InChI

InChI=1S/C21H24N4O3/c1-27-19-6-4-15(10-20(19)28-2)12-24-21(26)17-9-14(11-22)3-5-18(17)25-16-7-8-23-13-16/h3-6,9-10,16,23,25H,7-8,12-13H2,1-2H3,(H,24,26)