1-[3-(10-chloranylanthracen-9-yl)-5-(1-oxidanyl-2-phenyl-ethyl)-1,2-oxazol-4-yl]pentan-1-one

Systemtic Name: 1-[3-(10-chloranylanthracen-9-yl)-5-(1-oxidanyl-2-phenyl-ethyl)-1,2-oxazol-4-yl]pentan-1-one Openeye Name: 1-[3-(10-chloro-9-anthryl)-5-(1-hydroxy-2-phenyl-ethyl)isoxazol-4-yl]pentan-1-one CAS Name: 1-[3-(10-chloro-9-anthracenyl)-5-(1-hydroxy-2-phenylethyl)-4-isoxazolyl]-1-pentanone IUPAC Name: 1-[3-(10-chloroanthracen-9-yl)-5-(1-hydroxy-2-phenylethyl)-1,2-oxazol-4-yl]pentan-1-one Traditional Name: 1-[3-(10-chloro-9-anthryl)-5-(1-hydroxy-2-phenyl-ethyl)isoxazol-4-yl]pentan-1-one Formula: C30H26ClNO3 MolecularWeight: 483.98534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(ON=C1C2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C(CC5=CC=CC=C5)O

Isomeric SMILES

CCCCC(=O)C1=C(ON=C1C2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C(CC5=CC=CC=C5)O

InChI

InChI=1S/C30H26ClNO3/c1-2-3-17-24(33)27-29(32-35-30(27)25(34)18-19-11-5-4-6-12-19)26-20-13-7-9-15-22(20)28(31)23-16-10-8-14-21(23)26/h4-16,25,34H,2-3,17-18H2,1H3