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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenyl-4-imidazolyl)methyl]-1-(3,4-dichlorophenyl)ethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine Traditional Name: [2-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorophenyl)ethyl]-[(3-butyl-2-phenyl-imidazol-4-yl)methyl]amine Formula: C29H29Cl2N3O2 MolecularWeight: 522.46546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1C2=CC=CC=C2)CNC(CC3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCCCN1C(=CN=C1C2=CC=CC=C2)CNC(CC3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H29Cl2N3O2/c1-2-3-13-34-23(18-33-29(34)21-7-5-4-6-8-21)17-32-26(22-10-11-24(30)25(31)16-22)14-20-9-12-27-28(15-20)36-19-35-27/h4-12,15-16,18,26,32H,2-3,13-14,17,19H2,1H3