4-azanyl-5-chloranyl-N-[1-(2-cyanoethyl)-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-(2-cyanoethyl)-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-(2-cyanoethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-(2-cyanoethyl)-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-(2-cyanoethyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-(2-cyanoethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C17H25ClN4O4 MolecularWeight: 384.8578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O3.H2O/c1-24-15-9-13(20)12(18)8-11(15)17(23)21-14-4-7-22(6-3-5-19)10-16(14)25-2;/h8-9,14,16H,3-4,6-7,10,20H2,1-2H3,(H,21,23);1H2