N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-5-phenyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-5-phenyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-5-phenyl-piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-5-phenyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-5-phenylpiperidine-3-carboxamide Traditional Name: 1-(3-fluorobenzyl)-5-phenyl-N-piperonyl-nipecotamide Formula: C27H27FN2O3 MolecularWeight: 446.513283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1C(CN(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H27FN2O3/c28-24-8-4-5-20(11-24)15-30-16-22(21-6-2-1-3-7-21)13-23(17-30)27(31)29-14-19-9-10-25-26(12-19)33-18-32-25/h1-12,22-23H,13-18H2,(H,29,31)