1,5-dimethyl-4-[(E)-pent-1-enyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(E)-pent-1-enyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(E)-pent-1-enyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(E)-pent-1-enyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(E)-pent-1-enyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(E)-pent-1-enyl]-2-phenyl-3-pyrazolin-3-one Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCC/C=C/C1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H20N2O/c1-4-5-7-12-15-13(2)17(3)18(16(15)19)14-10-8-6-9-11-14/h6-12H,4-5H2,1-3H3/b12-7+