1-(1,3-benzodioxol-5-yl)-3-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]propyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-[6-keto-3-(p-tolyl)pyridazin-1-yl]propyl]urea Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCNC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCNC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4/c1-15-3-5-16(6-4-15)18-8-10-21(27)26(25-18)12-2-11-23-22(28)24-17-7-9-19-20(13-17)30-14-29-19/h3-10,13H,2,11-12,14H2,1H3,(H2,23,24,28)