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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(4-pyridin-3-yloxybutyl)piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(3-pyridyloxy)butyl]-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(3-pyridinyloxy)butyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(4-pyridin-3-yloxybutyl)piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-(3-pyridyloxy)butyl]-4-piperidyl]benzamide hydrate Formula: C23H33ClN4O5 MolecularWeight: 480.98492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCOC3=CN=CC=C3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCOC3=CN=CC=C3.O

InChI

InChI=1S/C23H31ClN4O4.H2O/c1-30-21-13-19(25)18(24)12-17(21)23(29)27-20-7-10-28(15-22(20)31-2)9-3-4-11-32-16-6-5-8-26-14-16;/h5-6,8,12-14,20,22H,3-4,7,9-11,15,25H2,1-2H3,(H,27,29);1H2