N-[(9-bromanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-N-ethyl-ethanamine

Systemtic Name: N-[(9-bromanyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-N-ethyl-ethanamine Openeye Name: N-[(9-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-N-ethyl-ethanamine CAS Name: N-[(9-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-N-ethylethanamine IUPAC Name: N-[(9-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy]-N-ethylethanamine Traditional Name: (9-bromo-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methoxy-diethyl-amine Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)OCC1=NN=C2N1C3=C(C=CC(=C3)Br)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)OCC1=NN=C2N1C3=C(C=CC(=C3)Br)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrN5O/c1-3-26(4-2)28-14-20-25-24-19-13-23-21(15-8-6-5-7-9-15)17-11-10-16(22)12-18(17)27(19)20/h5-12H,3-4,13-14H2,1-2H3