N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide hydrate

Systemtic Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide hydrate Openeye Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(3-pyridylmethyl)benzamide hydrate CAS Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(3-pyridinylmethyl)benzamide hydrate IUPAC Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(pyridin-3-ylmethyl)benzamide hydrate Traditional Name: N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(3-pyridylmethyl)benzamide hydrate Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N(CCC#N)CC2=CN=CC=C2.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N(CCC#N)CC2=CN=CC=C2.O

InChI

InChI=1S/C19H21N3O4.H2O/c1-24-16-10-15(11-17(25-2)18(16)26-3)19(23)22(9-5-7-20)13-14-6-4-8-21-12-14;/h4,6,8,10-12H,5,9,13H2,1-3H3;1H2