3-[3-(1-benzofuran-2-yl)-4-(benzotriazol-1-ylcarbonyl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-4-(benzotriazol-1-ylcarbonyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(benzofuran-2-yl)-4-(benzotriazole-1-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(2-benzofuranyl)-4-[1-benzotriazolyl(oxo)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(1-benzofuran-2-yl)-4-(benzotriazole-1-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(benzofuran-2-yl)-4-(benzotriazole-1-carbonyl)pyrazol-1-yl]propionitrile Formula: C21H14N6O2 MolecularWeight: 382.37486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)N4C5=CC=CC=C5N=N4)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)N4C5=CC=CC=C5N=N4)CCC#N

InChI

InChI=1S/C21H14N6O2/c22-10-5-11-26-13-15(21(28)27-17-8-3-2-7-16(17)23-25-27)20(24-26)19-12-14-6-1-4-9-18(14)29-19/h1-4,6-9,12-13H,5,11H2