2-[(3-oxidanylidene-5-piperidin-4-yl-1,2-oxazol-4-yl)methyl]naphthalene-1-carbonitrile hydrobromide

Systemtic Name: 2-[(3-oxidanylidene-5-piperidin-4-yl-1,2-oxazol-4-yl)methyl]naphthalene-1-carbonitrile hydrobromide Openeye Name: 2-[[3-oxo-5-(4-piperidyl)isoxazol-4-yl]methyl]naphthalene-1-carbonitrile hydrobromide CAS Name: 2-[[3-oxo-5-(4-piperidinyl)-4-isoxazolyl]methyl]-1-naphthalenecarbonitrile hydrobromide IUPAC Name: 2-[(3-oxo-5-piperidin-4-yl-1,2-oxazol-4-yl)methyl]naphthalene-1-carbonitrile hydrobromide Traditional Name: 2-[[3-keto-5-(4-piperidyl)-4-isoxazolin-4-yl]methyl]naphthalene-1-carbonitrile hydrobromide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=O)NO2)CC3=C(C4=CC=CC=C4C=C3)C#N.Br

Isomeric SMILES

C1CNCCC1C2=C(C(=O)NO2)CC3=C(C4=CC=CC=C4C=C3)C#N.Br

InChI

InChI=1S/C20H19N3O2.BrH/c21-12-18-15(6-5-13-3-1-2-4-16(13)18)11-17-19(25-23-20(17)24)14-7-9-22-10-8-14;/h1-6,14,22H,7-11H2,(H,23,24);1H