4-[(E)-but-2-enoyl]-2-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazol-3-one

Systemtic Name: 4-[(E)-but-2-enoyl]-2-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazol-3-one Openeye Name: 4-[(E)-but-2-enoyl]-2-phenyl-5-[(E)-styryl]-1H-pyrazol-3-one CAS Name: 4-[(E)-1-oxobut-2-enyl]-2-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazol-3-one IUPAC Name: 4-[(E)-but-2-enoyl]-2-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazol-3-one Traditional Name: 4-[(E)-but-2-enoyl]-2-phenyl-5-[(E)-styryl]-3-pyrazolin-3-one Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C=CC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)C1=C(NN(C1=O)C2=CC=CC=C2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O2/c1-2-9-19(24)20-18(15-14-16-10-5-3-6-11-16)22-23(21(20)25)17-12-7-4-8-13-17/h2-15,22H,1H3/b9-2+,15-14+