2-[6-(4-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[6-(4-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-ethanamine Openeye Name: 2-[6-(4-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-ethanamine CAS Name: 2-[6-(4-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine IUPAC Name: 2-[6-(4-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethylethanamine Traditional Name: 2-[6-(4-chlorophenyl)-8-nitro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl-dimethyl-amine Formula: C20H19ClN6O2 MolecularWeight: 410.85686

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)CCC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN6O2/c1-25(2)10-9-18-23-24-19-12-22-20(13-3-5-14(21)6-4-13)16-11-15(27(28)29)7-8-17(16)26(18)19/h3-8,11H,9-10,12H2,1-2H3