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

Systemtic Name: 3-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(4-isopentyloxy-3-methoxy-phenyl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(4-isoamoxy-3-methoxy-phenyl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-13(2)9-10-26-18-8-6-15(11-19(18)25-4)5-7-17-14(3)16(12-21)20(24)23-22-17/h5-8,11,13H,9-10H2,1-4H3,(H,23,24)/b7-5+