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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-N-[(2-phenoxyphenyl)methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-N-[(2-phenoxyphenyl)methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-4-imidazolyl)methyl]-N-[(2-phenoxyphenyl)methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-phenoxyphenyl)methyl]methanamine Traditional Name: (3-butyl-2-phenyl-imidazol-4-yl)methyl-(2-phenoxybenzyl)-piperonyl-amine Formula: C35H35N3O3 MolecularWeight: 545.6707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5OC6=CC=CC=C6

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5OC6=CC=CC=C6

InChI

InChI=1S/C35H35N3O3/c1-2-3-20-38-30(22-36-35(38)28-12-6-4-7-13-28)25-37(23-27-18-19-33-34(21-27)40-26-39-33)24-29-14-10-11-17-32(29)41-31-15-8-5-9-16-31/h4-19,21-22H,2-3,20,23-26H2,1H3