3,5-dimethyl-6-oxidanylidene-4-(3-pyridazin-3-ylpropyl)cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 3,5-dimethyl-6-oxidanylidene-4-(3-pyridazin-3-ylpropyl)cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 3,5-dimethyl-6-oxo-4-(3-pyridazin-3-ylpropyl)cyclohexa-1,3-diene-1-carbonitrile CAS Name: 3,5-dimethyl-6-oxo-4-[3-(3-pyridazinyl)propyl]-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 3,5-dimethyl-6-oxo-4-(3-pyridazin-3-ylpropyl)cyclohexa-1,3-diene-1-carbonitrile Traditional Name: 6-keto-3,5-dimethyl-4-(3-pyridazin-3-ylpropyl)cyclohexa-1,3-diene-1-carbonitrile Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C=C(C1=O)C#N)C)CCCC2=NN=CC=C2

Isomeric SMILES

CC1C(=C(C=C(C1=O)C#N)C)CCCC2=NN=CC=C2

InChI

InChI=1S/C16H17N3O/c1-11-9-13(10-17)16(20)12(2)15(11)7-3-5-14-6-4-8-18-19-14/h4,6,8-9,12H,3,5,7H2,1-2H3