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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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