3-[azanyl-[5-(phenylcarbonyl)-1,3-benzoxazol-2-yl]amino]propanenitrile chloride

Systemtic Name: 3-[azanyl-[5-(phenylcarbonyl)-1,3-benzoxazol-2-yl]amino]propanenitrile chloride Openeye Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propanenitrile chloride CAS Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propanenitrile chloride IUPAC Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propanenitrile chloride Traditional Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propionitrile chloride Formula: C17H14ClN4O2- MolecularWeight: 341.77166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OC(=N3)N(CCC#N)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OC(=N3)N(CCC#N)N.[Cl-]

InChI

InChI=1S/C17H14N4O2.ClH/c18-9-4-10-21(19)17-20-14-11-13(7-8-15(14)23-17)16(22)12-5-2-1-3-6-12;/h1-3,5-8,11H,4,10,19H2;1H/p-1