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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-4-imidazolyl)methyl]-1-(4-nitrophenyl)methanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine Traditional Name: (3-butyl-2-phenyl-imidazol-4-yl)methyl-(4-nitrobenzyl)-piperonyl-amine Formula: C29H30N4O4 MolecularWeight: 498.5729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H30N4O4/c1-2-3-15-32-26(17-30-29(32)24-7-5-4-6-8-24)20-31(18-22-9-12-25(13-10-22)33(34)35)19-23-11-14-27-28(16-23)37-21-36-27/h4-14,16-17H,2-3,15,18-21H2,1H3