6-(4-bromophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one

Systemtic Name: 6-(4-bromophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one Openeye Name: 6-(4-bromophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one CAS Name: 6-(4-bromophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one IUPAC Name: 6-(4-bromophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one Traditional Name: 6-(4-bromophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC3=NNC(=O)N3N=C2C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC3=NNC(=O)N3N=C2C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C18H15BrN4O3/c1-25-14-7-11-8-16-20-21-18(24)23(16)22-17(13(11)9-15(14)26-2)10-3-5-12(19)6-4-10/h3-7,9H,8H2,1-2H3,(H,21,24)