[4-[[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]methyl]phenyl]methanamine

Systemtic Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]methyl]phenyl]methanamine Openeye Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]methyl]phenyl]methanamine CAS Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]methyl]phenyl]methanamine IUPAC Name: [4-[[1,3-benzodioxol-5-ylmethyl-[(3-bromophenyl)methyl]amino]methyl]phenyl]methanamine Traditional Name: [4-(aminomethyl)benzyl]-(3-bromobenzyl)-piperonyl-amine Formula: C23H23BrN2O2 MolecularWeight: 439.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)CN)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H23BrN2O2/c24-21-3-1-2-19(10-21)14-26(13-18-6-4-17(12-25)5-7-18)15-20-8-9-22-23(11-20)28-16-27-22/h1-11H,12-16,25H2