3-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]-N,N-diethyl-propan-1-amine

Systemtic Name: 3-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]-N,N-diethyl-propan-1-amine Openeye Name: 3-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]-N,N-diethyl-propan-1-amine CAS Name: 3-[2-(1-benzotriazolylmethyl)-5-nitro-1-benzimidazolyl]-N,N-diethyl-1-propanamine IUPAC Name: 3-[2-(benzotriazol-1-ylmethyl)-5-nitrobenzimidazol-1-yl]-N,N-diethylpropan-1-amine Traditional Name: 3-[2-(benzotriazol-1-ylmethyl)-5-nitro-benzimidazol-1-yl]propyl-diethyl-amine Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCN(CC)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N7O2/c1-3-25(4-2)12-7-13-26-19-11-10-16(28(29)30)14-18(19)22-21(26)15-27-20-9-6-5-8-17(20)23-24-27/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3