N-[2-[3-[(3-chloranyl-4-fluoranyl-phenyl)methyl-piperidin-4-yl-amino]-2-oxidanyl-propoxy]phenyl]benzamide

Systemtic Name: N-[2-[3-[(3-chloranyl-4-fluoranyl-phenyl)methyl-piperidin-4-yl-amino]-2-oxidanyl-propoxy]phenyl]benzamide Openeye Name: N-[2-[3-[(3-chloro-4-fluoro-phenyl)methyl-(4-piperidyl)amino]-2-hydroxy-propoxy]phenyl]benzamide CAS Name: N-[2-[3-[(3-chloro-4-fluorophenyl)methyl-(4-piperidinyl)amino]-2-hydroxypropoxy]phenyl]benzamide IUPAC Name: N-[2-[3-[(3-chloro-4-fluorophenyl)methyl-piperidin-4-ylamino]-2-hydroxypropoxy]phenyl]benzamide Traditional Name: N-[2-[3-[(3-chloro-4-fluoro-benzyl)-(4-piperidyl)amino]-2-hydroxy-propoxy]phenyl]benzamide Formula: C28H31ClFN3O3 MolecularWeight: 512.015443

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC(=C(C=C2)F)Cl)CC(COC3=CC=CC=C3NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1CNCCC1N(CC2=CC(=C(C=C2)F)Cl)CC(COC3=CC=CC=C3NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H31ClFN3O3/c29-24-16-20(10-11-25(24)30)17-33(22-12-14-31-15-13-22)18-23(34)19-36-27-9-5-4-8-26(27)32-28(35)21-6-2-1-3-7-21/h1-11,16,22-23,31,34H,12-15,17-19H2,(H,32,35)