(3S,4R)-4-(benzotriazol-1-yl)-1,3,4-triphenyl-butan-1-one

Systemtic Name: (3S,4R)-4-(benzotriazol-1-yl)-1,3,4-triphenyl-butan-1-one Openeye Name: (3S,4R)-4-(benzotriazol-1-yl)-1,3,4-triphenyl-butan-1-one CAS Name: (3S,4R)-4-(1-benzotriazolyl)-1,3,4-triphenyl-1-butanone IUPAC Name: (3S,4R)-4-(benzotriazol-1-yl)-1,3,4-triphenylbutan-1-one Traditional Name: (3S,4R)-4-(benzotriazol-1-yl)-1,3,4-triphenyl-butan-1-one Formula: C28H23N3O MolecularWeight: 417.50172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H23N3O/c32-27(22-14-6-2-7-15-22)20-24(21-12-4-1-5-13-21)28(23-16-8-3-9-17-23)31-26-19-11-10-18-25(26)29-30-31/h1-19,24,28H,20H2/t24-,28-/m0/s1