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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-2-(4-nitrophenyl)ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-2-(4-nitrophenyl)ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenyl-4-imidazolyl)methyl]-2-(4-nitrophenyl)ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-2-(4-nitrophenyl)ethanamine Traditional Name: (3-butyl-2-phenyl-imidazol-4-yl)methyl-[2-(4-nitrophenyl)ethyl]-piperonyl-amine Formula: C30H32N4O4 MolecularWeight: 512.59948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CN(CCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H32N4O4/c1-2-3-16-33-27(19-31-30(33)25-7-5-4-6-8-25)21-32(17-15-23-9-12-26(13-10-23)34(35)36)20-24-11-14-28-29(18-24)38-22-37-28/h4-14,18-19H,2-3,15-17,20-22H2,1H3