3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 3-(4-isobutoxy-3-methyl-phenyl)-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazole-4-carbaldehyde Traditional Name: 3-(4-isobutoxy-3-methyl-phenyl)-1-phenyl-pyrazole-4-carbaldehyde Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=O)C3=CC=CC=C3)OCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=O)C3=CC=CC=C3)OCC(C)C

InChI

InChI=1S/C21H22N2O2/c1-15(2)14-25-20-10-9-17(11-16(20)3)21-18(13-24)12-23(22-21)19-7-5-4-6-8-19/h4-13,15H,14H2,1-3H3