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

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[2-(5-chloranylpyridin-3-yl)oxyethyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-[2-[(5-chloro-3-pyridyl)oxy]ethyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-[2-(5-chloropyridin-3-yl)oxyethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-[2-[(5-chloro-3-pyridyl)oxy]ethyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C21H28Cl2N4O5 MolecularWeight: 487.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCOC3=CC(=CN=C3)Cl.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCOC3=CC(=CN=C3)Cl.O

InChI

InChI=1S/C21H26Cl2N4O4.H2O/c1-29-19-9-17(24)16(23)8-15(19)21(28)26-18-3-4-27(12-20(18)30-2)5-6-31-14-7-13(22)10-25-11-14;/h7-11,18,20H,3-6,12,24H2,1-2H3,(H,26,28);1H2