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

Systemtic Name: 3-[4-(benzotriazol-1-ylcarbonyl)-3-(3-methoxyphenyl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(benzotriazole-1-carbonyl)-3-(3-methoxyphenyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[1-benzotriazolyl(oxo)methyl]-3-(3-methoxyphenyl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(benzotriazole-1-carbonyl)-3-(3-methoxyphenyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(benzotriazole-1-carbonyl)-3-(3-methoxyphenyl)pyrazol-1-yl]propionitrile Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3C4=CC=CC=C4N=N3)CCC#N

InChI

InChI=1S/C20H16N6O2/c1-28-15-7-4-6-14(12-15)19-16(13-25(23-19)11-5-10-21)20(27)26-18-9-3-2-8-17(18)22-24-26/h2-4,6-9,12-13H,5,11H2,1H3