5-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(5-bromo-2-hydroxybenzoyl)piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-(5-bromo-2-hydroxy-benzoyl)piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C18H17BrN4O3 MolecularWeight: 417.25658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Br)O)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Br)O)C#N

InChI

InChI=1S/C18H17BrN4O3/c19-12-3-4-15(24)13(9-12)17(25)22-5-7-23(8-6-22)18-14(10-20)21-16(26-18)11-1-2-11/h3-4,9,11,24H,1-2,5-8H2