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

Systemtic Name: (E,4Z)-4-(phenylmethylidene)-1-(1,3,5-trimethylpyrazol-4-yl)non-2-en-1-one Openeye Name: (E,4Z)-4-benzylidene-1-(1,3,5-trimethylpyrazol-4-yl)non-2-en-1-one CAS Name: (E,4Z)-4-(phenylmethylene)-1-(1,3,5-trimethyl-4-pyrazolyl)-2-nonen-1-one IUPAC Name: (E,4Z)-4-benzylidene-1-(1,3,5-trimethylpyrazol-4-yl)non-2-en-1-one Traditional Name: (2E,4Z)-4-amyl-5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)penta-2,4-dien-1-one Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)C=CC(=O)C2=C(N(N=C2C)C)C

Isomeric SMILES

CCCCC/C(=C/C1=CC=CC=C1)/C=C/C(=O)C2=C(N(N=C2C)C)C

InChI

InChI=1S/C22H28N2O/c1-5-6-8-11-20(16-19-12-9-7-10-13-19)14-15-21(25)22-17(2)23-24(4)18(22)3/h7,9-10,12-16H,5-6,8,11H2,1-4H3/b15-14+,20-16-