1-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propyl]urea CAS Name: 1-[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]propyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]urea Traditional Name: 1-benzyl-3-[3-[6-keto-3-(p-tolyl)pyridazin-1-yl]propyl]urea Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2/c1-17-8-10-19(11-9-17)20-12-13-21(27)26(25-20)15-5-14-23-22(28)24-16-18-6-3-2-4-7-18/h2-4,6-13H,5,14-16H2,1H3,(H2,23,24,28)