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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(6-oxo-3-phenyl-pyridazin-1-yl)propyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(6-oxo-3-phenyl-1-pyridazinyl)propyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(6-keto-3-phenyl-pyridazin-1-yl)propyl]urea Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NCCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NCCCN3C(=O)C=CC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c26-20-10-8-17(15-5-2-1-3-6-15)24-25(20)12-4-11-22-21(27)23-16-7-9-18-19(13-16)29-14-28-18/h1-3,5-10,13H,4,11-12,14H2,(H2,22,23,27)