3-but-3-ynyl-1-methyl-5-phenylmethoxy-pyrazole-4-carbaldehyde

Systemtic Name: 3-but-3-ynyl-1-methyl-5-phenylmethoxy-pyrazole-4-carbaldehyde Openeye Name: 5-benzyloxy-3-but-3-ynyl-1-methyl-pyrazole-4-carbaldehyde CAS Name: 3-but-3-ynyl-1-methyl-5-phenylmethoxy-4-pyrazolecarboxaldehyde IUPAC Name: 3-but-3-ynyl-1-methyl-5-phenylmethoxypyrazole-4-carbaldehyde Traditional Name: 5-benzoxy-3-but-3-ynyl-1-methyl-pyrazole-4-carbaldehyde Formula: C16H16N2O2 MolecularWeight: 268.31044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)CCC#C)C=O)OCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)CCC#C)C=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2/c1-3-4-10-15-14(11-19)16(18(2)17-15)20-12-13-8-6-5-7-9-13/h1,5-9,11H,4,10,12H2,2H3