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

Systemtic Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(piperidin-4-ylamino)benzamide hydrochloride Openeye Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-piperidylamino)benzamide hydrochloride CAS Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-piperidinylamino)benzamide hydrochloride IUPAC Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-(piperidin-4-ylamino)benzamide hydrochloride Traditional Name: 5-cyano-2-(4-piperidylamino)-N-veratryl-benzamide hydrochloride Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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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)NC3CCNCC3)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCNCC3)OC.Cl

InChI

InChI=1S/C22H26N4O3.ClH/c1-28-20-6-4-16(12-21(20)29-2)14-25-22(27)18-11-15(13-23)3-5-19(18)26-17-7-9-24-10-8-17;/h3-6,11-12,17,24,26H,7-10,14H2,1-2H3,(H,25,27);1H