(E)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-tert-butylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=CC(=O)C3=NN(C=C3)C)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)C3=NN(C=C3)C)OC

InChI

InChI=1S/C25H28N2O3/c1-25(2,3)20-8-10-21(11-9-20)30-17-19-16-18(7-13-24(19)29-5)6-12-23(28)22-14-15-27(4)26-22/h6-16H,17H2,1-5H3/b12-6+