3-[1-(4-chlorophenyl)propoxy]-6-oxidanylidene-4-(pyridin-3-ylmethylamino)-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[1-(4-chlorophenyl)propoxy]-6-oxidanylidene-4-(pyridin-3-ylmethylamino)-1H-pyridazine-5-carbonitrile Openeye Name: 3-[1-(4-chlorophenyl)propoxy]-6-oxo-4-(3-pyridylmethylamino)-1H-pyridazine-5-carbonitrile CAS Name: 3-[1-(4-chlorophenyl)propoxy]-6-oxo-4-(3-pyridinylmethylamino)-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[1-(4-chlorophenyl)propoxy]-6-oxo-4-(pyridin-3-ylmethylamino)-1H-pyridazine-5-carbonitrile Traditional Name: 3-[1-(4-chlorophenyl)propoxy]-6-keto-4-(3-pyridylmethylamino)-1H-pyridazine-5-carbonitrile Formula: C20H18ClN5O2 MolecularWeight: 395.84222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Cl)OC2=NNC(=O)C(=C2NCC3=CN=CC=C3)C#N

Isomeric SMILES

CCC(C1=CC=C(C=C1)Cl)OC2=NNC(=O)C(=C2NCC3=CN=CC=C3)C#N

InChI

InChI=1S/C20H18ClN5O2/c1-2-17(14-5-7-15(21)8-6-14)28-20-18(16(10-22)19(27)25-26-20)24-12-13-4-3-9-23-11-13/h3-9,11,17H,2,12H2,1H3,(H2,24,25,27)