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

Systemtic Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(piperidin-3-ylamino)benzamide Openeye Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-piperidylamino)benzamide CAS Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-piperidinylamino)benzamide IUPAC Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(piperidin-3-ylamino)benzamide Traditional Name: 5-cyano-2-(3-piperidylamino)-N-veratryl-benzamide Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCCNC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCCNC3)OC

InChI

InChI=1S/C22H26N4O3/c1-28-20-8-6-16(11-21(20)29-2)13-25-22(27)18-10-15(12-23)5-7-19(18)26-17-4-3-9-24-14-17/h5-8,10-11,17,24,26H,3-4,9,13-14H2,1-2H3,(H,25,27)