(4S,5S)-5-(benzotriazol-1-yl)-4-(benzotriazol-1-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

Systemtic Name: (4S,5S)-5-(benzotriazol-1-yl)-4-(benzotriazol-1-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole Openeye Name: (4S,5S)-5-(benzotriazol-1-yl)-4-(benzotriazol-1-ylmethyl)-3-phenyl-4,5-dihydroisoxazole CAS Name: (4S,5S)-5-(1-benzotriazolyl)-4-(1-benzotriazolylmethyl)-3-phenyl-4,5-dihydroisoxazole IUPAC Name: (4S,5S)-5-(benzotriazol-1-yl)-4-(benzotriazol-1-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole Traditional Name: (4S,5S)-5-(benzotriazol-1-yl)-4-(benzotriazol-1-ylmethyl)-3-phenyl-2-isoxazoline Formula: C22H17N7O MolecularWeight: 395.41668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(C2CN3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=NO[C@@H]([C@H]2CN3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C22H17N7O/c1-2-8-15(9-3-1)21-16(14-28-19-12-6-4-10-17(19)23-26-28)22(30-25-21)29-20-13-7-5-11-18(20)24-27-29/h1-13,16,22H,14H2/t16-,22-/m0/s1