4-methyl-3-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 4-methyl-3-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(4-isopentyloxyphenyl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 4-methyl-3-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 4-methyl-3-[(E)-2-[4-(3-methylbutoxy)phenyl]ethenyl]-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(4-isoamoxyphenyl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC=C(C=C2)OCCC(C)C)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CC=C(C=C2)OCCC(C)C)C#N

InChI

InChI=1S/C19H21N3O2/c1-13(2)10-11-24-16-7-4-15(5-8-16)6-9-18-14(3)17(12-20)19(23)22-21-18/h4-9,13H,10-11H2,1-3H3,(H,22,23)/b9-6+