5-methyl-4-[(E)-2-phenylundec-4-enoyl]pyrazol-3-one

Systemtic Name: 5-methyl-4-[(E)-2-phenylundec-4-enoyl]pyrazol-3-one Openeye Name: 5-methyl-4-[(E)-2-phenylundec-4-enoyl]pyrazol-3-one CAS Name: 5-methyl-4-[(E)-1-oxo-2-phenylundec-4-enyl]-3-pyrazolone IUPAC Name: 5-methyl-4-[(E)-2-phenylundec-4-enoyl]pyrazol-3-one Traditional Name: 5-methyl-4-[(E)-2-phenylundec-4-enoyl]pyrazol-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC(C1=CC=CC=C1)C(=O)C2=C(N=NC2=O)C

Isomeric SMILES

CCCCCC/C=C/CC(C1=CC=CC=C1)C(=O)C2=C(N=NC2=O)C

InChI

InChI=1S/C21H26N2O2/c1-3-4-5-6-7-8-12-15-18(17-13-10-9-11-14-17)20(24)19-16(2)22-23-21(19)25/h8-14,18H,3-7,15H2,1-2H3/b12-8+