4-(anthracen-9-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one bromide

Systemtic Name: 4-(anthracen-9-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-(9-anthrylmethyl)-5-(4-piperidyl)isoxazol-3-one bromide CAS Name: 4-(9-anthracenylmethyl)-5-(4-piperidinyl)-3-isoxazolone bromide IUPAC Name: 4-(anthracen-9-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-(9-anthrylmethyl)-5-(4-piperidyl)-4-isoxazolin-3-one bromide Formula: C23H22BrN2O2- MolecularWeight: 438.33698

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NO2)CC3=C4C=CC=CC4=CC5=CC=CC=C53.[Br-]

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NO2)CC3=C4C=CC=CC4=CC5=CC=CC=C53.[Br-]

InChI

InChI=1S/C23H22N2O2.BrH/c26-23-21(22(27-25-23)15-9-11-24-12-10-15)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20;/h1-8,13,15,24H,9-12,14H2,(H,25,26);1H/p-1