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

Systemtic Name: N,N-dimethyl-2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine Openeye Name: N,N-dimethyl-2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine CAS Name: N,N-dimethyl-2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine IUPAC Name: N,N-dimethyl-2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine Traditional Name: dimethyl-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]amine Formula: C20H20N6O2 MolecularWeight: 376.4118

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O2/c1-24(2)11-10-18-22-23-19-13-21-20(14-6-4-3-5-7-14)16-12-15(26(27)28)8-9-17(16)25(18)19/h3-9,12H,10-11,13H2,1-2H3