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

Systemtic Name: N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-(3-butyl-2-phenyl-imidazol-4-yl)ethanamine Openeye Name: N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-(3-butyl-2-phenyl-imidazol-4-yl)ethanamine CAS Name: N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-(3-butyl-2-phenyl-4-imidazolyl)ethanamine IUPAC Name: N-[1,3-benzodioxol-5-yl(phenyl)methyl]-2-(3-butyl-2-phenylimidazol-4-yl)ethanamine Traditional Name: [1,3-benzodioxol-5-yl(phenyl)methyl]-[2-(3-butyl-2-phenyl-imidazol-4-yl)ethyl]amine Formula: C29H31N3O2 MolecularWeight: 453.57534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CCNC(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CCNC(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O2/c1-2-3-18-32-25(20-31-29(32)23-12-8-5-9-13-23)16-17-30-28(22-10-6-4-7-11-22)24-14-15-26-27(19-24)34-21-33-26/h4-15,19-20,28,30H,2-3,16-18,21H2,1H3