4-[3-(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)oxy-2-oxidanyl-propoxy]-3-propyl-benzenecarbonitrile

Systemtic Name: 4-[3-(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)oxy-2-oxidanyl-propoxy]-3-propyl-benzenecarbonitrile Openeye Name: 4-[3-(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)oxy-2-hydroxy-propoxy]-3-propyl-benzonitrile CAS Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)oxy]-2-hydroxypropoxy]-3-propylbenzonitrile IUPAC Name: 4-[3-(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)oxy-2-hydroxypropoxy]-3-propylbenzonitrile Traditional Name: 4-[3-(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)oxy-2-hydroxy-propoxy]-3-propyl-benzonitrile Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C#N)OCC(COC2=C(C(=O)N(N=C2)C(C)C)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C#N)OCC(COC2=C(C(=O)N(N=C2)C(C)C)Cl)O

InChI

InChI=1S/C20H24ClN3O4/c1-4-5-15-8-14(9-22)6-7-17(15)27-11-16(25)12-28-18-10-23-24(13(2)3)20(26)19(18)21/h6-8,10,13,16,25H,4-5,11-12H2,1-3H3