N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(5-fluoranyl-2-methyl-phenyl)methylamino]piperidin-1-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(5-fluoranyl-2-methyl-phenyl)methylamino]piperidin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(5-fluoro-2-methyl-phenyl)methylamino]-1-piperidyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(5-fluoro-2-methylphenyl)methylamino]-1-piperidinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]benzamide Traditional Name: 4-[4-[(5-fluoro-2-methyl-benzyl)amino]piperidino]-N-piperonyl-benzamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)F)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H30FN3O3/c1-19-2-6-23(29)15-22(19)17-30-24-10-12-32(13-11-24)25-7-4-21(5-8-25)28(33)31-16-20-3-9-26-27(14-20)35-18-34-26/h2-9,14-15,24,30H,10-13,16-18H2,1H3,(H,31,33)