1-(4-tert-butylphenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C30H28N2O3 MolecularWeight: 464.55492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O3/c1-30(2,3)24-13-9-21(10-14-24)26(33)15-11-23-20-32(25-7-5-4-6-8-25)31-29(23)22-12-16-27-28(19-22)35-18-17-34-27/h4-16,19-20H,17-18H2,1-3H3