N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethanamine

Systemtic Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethanamine Openeye Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethanamine CAS Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2-(4-fluorophenyl)-4-imidazolyl]ethanamine IUPAC Name: N,N-bis(1,3-benzodioxol-5-ylmethyl)-1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethanamine Traditional Name: 1-[3-butyl-2-(4-fluorophenyl)imidazol-4-yl]ethyl-dipiperonyl-amine Formula: C31H32FN3O4 MolecularWeight: 529.601883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=C(C=C2)F)C(C)N(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=C(C=C2)F)C(C)N(CC3=CC4=C(C=C3)OCO4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H32FN3O4/c1-3-4-13-35-26(16-33-31(35)24-7-9-25(32)10-8-24)21(2)34(17-22-5-11-27-29(14-22)38-19-36-27)18-23-6-12-28-30(15-23)39-20-37-28/h5-12,14-16,21H,3-4,13,17-20H2,1-2H3