3-[4-[(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)ethenyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)ethenyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-2-(5-chloro-1,3-benzoxazol-2-yl)vinyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H15ClN4O MolecularWeight: 374.823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC3=NC4=C(O3)C=CC(=C4)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C3=NC4=C(O3)C=CC(=C4)Cl)CCC#N

InChI

InChI=1S/C21H15ClN4O/c22-17-8-9-19-18(13-17)24-20(27-19)10-7-16-14-26(12-4-11-23)25-21(16)15-5-2-1-3-6-15/h1-3,5-10,13-14H,4,12H2/b10-7+