N-[1-(2-cyanoethyl)-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate

Systemtic Name: N-[1-(2-cyanoethyl)-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: N-[1-(2-cyanoethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: N-[1-(2-cyanoethyl)-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: N-[1-(2-cyanoethyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: N-[1-(2-cyanoethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC=CC=C2OC)CCC#N.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC=CC=C2OC)CCC#N.O

InChI

InChI=1S/C17H23N3O3.H2O/c1-22-15-7-4-3-6-13(15)17(21)19-14-8-11-20(10-5-9-18)12-16(14)23-2;/h3-4,6-7,14,16H,5,8,10-12H2,1-2H3,(H,19,21);1H2