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

Systemtic Name: 3-[azanyl-[5-(phenylcarbonyl)-1,3-benzoxazol-2-yl]amino]propanenitrile hydrochloride Openeye Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propanenitrile hydrochloride CAS Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propanenitrile hydrochloride IUPAC Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propanenitrile hydrochloride Traditional Name: 3-[amino-(5-benzoyl-1,3-benzoxazol-2-yl)amino]propionitrile hydrochloride Formula: C17H15ClN4O2 MolecularWeight: 342.7796

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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