4-[4-(1-cyano-3-oxidanyl-1-phenyl-propyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrobromide

Systemtic Name: 4-[4-(1-cyano-3-oxidanyl-1-phenyl-propyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrobromide Openeye Name: 4-[4-(1-cyano-3-hydroxy-1-phenyl-propyl)phenyl]-3-(3-pyridyl)-4,5-dihydroisoxazole-5-carboxamide hydrobromide CAS Name: 4-[4-(1-cyano-3-hydroxy-1-phenylpropyl)phenyl]-3-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide hydrobromide IUPAC Name: 4-[4-(1-cyano-3-hydroxy-1-phenylpropyl)phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide hydrobromide Traditional Name: 4-[4-(1-cyano-3-hydroxy-1-phenyl-propyl)phenyl]-3-(3-pyridyl)-2-isoxazoline-5-carboxamide hydrobromide Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCO)(C#N)C2=CC=C(C=C2)C3C(ON=C3C4=CN=CC=C4)C(=O)N.Br

Isomeric SMILES

C1=CC=C(C=C1)C(CCO)(C#N)C2=CC=C(C=C2)C3C(ON=C3C4=CN=CC=C4)C(=O)N.Br

InChI

InChI=1S/C25H22N4O3.BrH/c26-16-25(12-14-30,19-6-2-1-3-7-19)20-10-8-17(9-11-20)21-22(18-5-4-13-28-15-18)29-32-23(21)24(27)31;/h1-11,13,15,21,23,30H,12,14H2,(H2,27,31);1H