4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]-2,1,3-benzoxadiazole

Systemtic Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]-2,1,3-benzoxadiazole Openeye Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]-2,1,3-benzoxadiazole CAS Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]-2,1,3-benzoxadiazole Traditional Name: 4-[[1-(1H-imidazol-5-ylmethyl)-2-phenethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzofurazan Formula: C27H26N6O3S MolecularWeight: 514.59874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC4=NON=C43)CC5=CN=CN5)CCC6=CC=CC=C6

Isomeric SMILES

C1C(N(C2=CC=CC=C2CN1S(=O)(=O)C3=CC=CC4=NON=C43)CC5=CN=CN5)CCC6=CC=CC=C6

InChI

InChI=1S/C27H26N6O3S/c34-37(35,26-12-6-10-24-27(26)31-36-30-24)32-16-21-9-4-5-11-25(21)33(17-22-15-28-19-29-22)23(18-32)14-13-20-7-2-1-3-8-20/h1-12,15,19,23H,13-14,16-18H2,(H,28,29)