N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-2-(2-phenoxyphenyl)ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-2-(2-phenoxyphenyl)ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-2-(2-phenoxyphenyl)ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-4-imidazolyl)methyl]-2-(2-phenoxyphenyl)ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-2-(2-phenoxyphenyl)ethanamine Traditional Name: (3-butyl-2-phenyl-imidazol-4-yl)methyl-[2-(2-phenoxyphenyl)ethyl]-piperonyl-amine Formula: C36H37N3O3 MolecularWeight: 559.69728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CCC3=CC=CC=C3OC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CCC3=CC=CC=C3OC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C36H37N3O3/c1-2-3-21-39-31(24-37-36(39)30-13-6-4-7-14-30)26-38(25-28-18-19-34-35(23-28)41-27-40-34)22-20-29-12-10-11-17-33(29)42-32-15-8-5-9-16-32/h4-19,23-24H,2-3,20-22,25-27H2,1H3