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

Systemtic Name: N-[(8-bromanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]-N-methyl-ethanamine Openeye Name: N-[(8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]-N-methyl-ethanamine CAS Name: N-[(8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]-N-methylethanamine IUPAC Name: N-[(8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]-N-methylethanamine Traditional Name: (8-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl-ethyl-methyl-amine Formula: C20H20BrN5 MolecularWeight: 410.3103

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CCN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C20H20BrN5/c1-3-25(2)13-19-24-23-18-12-22-20(14-7-5-4-6-8-14)16-11-15(21)9-10-17(16)26(18)19/h4-11H,3,12-13H2,1-2H3