(E,4Z)-1-(2,5-dimethylpyrazol-3-yl)-4-(phenylmethylidene)non-2-en-1-one

Systemtic Name: (E,4Z)-1-(2,5-dimethylpyrazol-3-yl)-4-(phenylmethylidene)non-2-en-1-one Openeye Name: (E,4Z)-4-benzylidene-1-(2,5-dimethylpyrazol-3-yl)non-2-en-1-one CAS Name: (E,4Z)-1-(2,5-dimethyl-3-pyrazolyl)-4-(phenylmethylene)-2-nonen-1-one IUPAC Name: (E,4Z)-4-benzylidene-1-(2,5-dimethylpyrazol-3-yl)non-2-en-1-one Traditional Name: (2E,4Z)-4-amyl-1-(2,5-dimethylpyrazol-3-yl)-5-phenyl-penta-2,4-dien-1-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)C=CC(=O)C2=CC(=NN2C)C

Isomeric SMILES

CCCCC/C(=C/C1=CC=CC=C1)/C=C/C(=O)C2=CC(=NN2C)C

InChI

InChI=1S/C21H26N2O/c1-4-5-7-10-19(16-18-11-8-6-9-12-18)13-14-21(24)20-15-17(2)22-23(20)3/h6,8-9,11-16H,4-5,7,10H2,1-3H3/b14-13+,19-16-