4-(3-cyclopropyl-1-deuterio-5-methyl-pyrazol-4-yl)oxy-3,5-dideuterio-2,6-bis(trideuteriomethyl)benzenecarbonitrile

Systemtic Name: 4-(3-cyclopropyl-1-deuterio-5-methyl-pyrazol-4-yl)oxy-3,5-dideuterio-2,6-bis(trideuteriomethyl)benzenecarbonitrile Openeye Name: 4-(3-cyclopropyl-1-deuterio-5-methyl-pyrazol-4-yl)oxy-3,5-dideuterio-2,6-bis(trideuteriomethyl)benzonitrile CAS Name: 4-[(3-cyclopropyl-1-deuterio-5-methyl-4-pyrazolyl)oxy]-3,5-dideuterio-2,6-bis(trideuteriomethyl)benzonitrile IUPAC Name: 4-(3-cyclopropyl-1-deuterio-5-methylpyrazol-4-yl)oxy-3,5-dideuterio-2,6-bis(trideuteriomethyl)benzonitrile Traditional Name: 4-(3-cyclopropyl-1-deuterio-5-methyl-pyrazol-4-yl)oxy-3,5-dideuterio-2,6-bis(trideuteriomethyl)benzonitrile Formula: C16H17N3O MolecularWeight: 276.381136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(NN=C2C3CC3)C

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1OC2=C(N(N=C2C3CC3)[2H])C)[2H])C([2H])([2H])[2H])C#N)C([2H])([2H])[2H]

InChI

InChI=1S/C16H17N3O/c1-9-6-13(7-10(2)14(9)8-17)20-16-11(3)18-19-15(16)12-4-5-12/h6-7,12H,4-5H2,1-3H3,(H,18,19)/i1D3,2D3,6D,7D/hD