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

Systemtic Name: 3-[(E)-2-[4-(azepan-1-yl)phenyl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[4-(azepan-1-yl)phenyl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[4-(1-azepanyl)phenyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[4-(azepan-1-yl)phenyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[4-(azepan-1-yl)phenyl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC=C(C=C2)N3CCCCCC3)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CC=C(C=C2)N3CCCCCC3)C#N

InChI

InChI=1S/C20H22N4O/c1-15-18(14-21)20(25)23-22-19(15)11-8-16-6-9-17(10-7-16)24-12-4-2-3-5-13-24/h6-11H,2-5,12-13H2,1H3,(H,23,25)/b11-8+