3-[4-(benzotriazol-1-ylcarbonyl)-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(benzotriazol-1-ylcarbonyl)-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(benzotriazole-1-carbonyl)-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[1-benzotriazolyl(oxo)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(benzotriazole-1-carbonyl)-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(benzotriazole-1-carbonyl)-3-phenyl-pyrazol-1-yl]propionitrile Formula: C19H14N6O MolecularWeight: 342.35406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)CCC#N

InChI

InChI=1S/C19H14N6O/c20-11-6-12-24-13-15(18(22-24)14-7-2-1-3-8-14)19(26)25-17-10-5-4-9-16(17)21-23-25/h1-5,7-10,13H,6,12H2