(4R,5R)-5-(benzotriazol-1-yl)-5-(4-tert-butylfuran-2-yl)-4-phenyl-pentan-2-one

Systemtic Name: (4R,5R)-5-(benzotriazol-1-yl)-5-(4-tert-butylfuran-2-yl)-4-phenyl-pentan-2-one Openeye Name: (4R,5R)-5-(benzotriazol-1-yl)-5-(4-tert-butyl-2-furyl)-4-phenyl-pentan-2-one CAS Name: (4R,5R)-5-(1-benzotriazolyl)-5-(4-tert-butyl-2-furanyl)-4-phenyl-2-pentanone IUPAC Name: (4R,5R)-5-(benzotriazol-1-yl)-5-(4-tert-butylfuran-2-yl)-4-phenylpentan-2-one Traditional Name: (4R,5R)-5-(benzotriazol-1-yl)-5-(4-tert-butyl-2-furyl)-4-phenyl-pentan-2-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1)C(C2=CC(=CO2)C(C)(C)C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)C[C@H](C1=CC=CC=C1)[C@H](C2=CC(=CO2)C(C)(C)C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H27N3O2/c1-17(29)14-20(18-10-6-5-7-11-18)24(23-15-19(16-30-23)25(2,3)4)28-22-13-9-8-12-21(22)26-27-28/h5-13,15-16,20,24H,14H2,1-4H3/t20-,24-/m1/s1