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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(2-pyridin-3-yloxyethyl)piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(3-pyridyloxy)ethyl]-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(3-pyridinyloxy)ethyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(2-pyridin-3-yloxyethyl)piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[2-(3-pyridyloxy)ethyl]-4-piperidyl]benzamide hydrate Formula: C21H29ClN4O5 MolecularWeight: 452.93176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O4.H2O/c1-28-19-11-17(23)16(22)10-15(19)21(27)25-18-5-7-26(13-20(18)29-2)8-9-30-14-4-3-6-24-12-14;/h3-4,6,10-12,18,20H,5,7-9,13,23H2,1-2H3,(H,25,27);1H2