1-[3-[4-[(E)-but-1-en-3-ynyl]-2-methyl-pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[3-[4-[(E)-but-1-en-3-ynyl]-2-methyl-pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea Openeye Name: 1-[3-[4-[(E)-but-1-en-3-ynyl]-2-methyl-pyrazol-3-yl]phenyl]-3-(p-tolyl)urea CAS Name: 1-[3-[4-[(E)-but-1-en-3-ynyl]-2-methyl-3-pyrazolyl]phenyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[3-[4-[(E)-but-1-en-3-ynyl]-2-methylpyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea Traditional Name: 1-[3-[4-[(E)-but-1-en-3-ynyl]-2-methyl-pyrazol-3-yl]phenyl]-3-(p-tolyl)urea Formula: C22H20N4O MolecularWeight: 356.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3=C(C=NN3C)C=CC#C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3=C(C=NN3C)/C=C/C#C

InChI

InChI=1S/C22H20N4O/c1-4-5-7-18-15-23-26(3)21(18)17-8-6-9-20(14-17)25-22(27)24-19-12-10-16(2)11-13-19/h1,5-15H,2-3H3,(H2,24,25,27)/b7-5+