N,N-bis(benzotriazol-1-ylmethyl)-2-(4-bromophenyl)ethanamine

Systemtic Name: N,N-bis(benzotriazol-1-ylmethyl)-2-(4-bromophenyl)ethanamine Openeye Name: N,N-bis(benzotriazol-1-ylmethyl)-2-(4-bromophenyl)ethanamine CAS Name: N,N-bis(1-benzotriazolylmethyl)-2-(4-bromophenyl)ethanamine IUPAC Name: N,N-bis(benzotriazol-1-ylmethyl)-2-(4-bromophenyl)ethanamine Traditional Name: bis(benzotriazol-1-ylmethyl)-[2-(4-bromophenyl)ethyl]amine Formula: C22H20BrN7 MolecularWeight: 462.3451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN(CCC3=CC=C(C=C3)Br)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN(CCC3=CC=C(C=C3)Br)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H20BrN7/c23-18-11-9-17(10-12-18)13-14-28(15-29-21-7-3-1-5-19(21)24-26-29)16-30-22-8-4-2-6-20(22)25-27-30/h1-12H,13-16H2