4-[(3-butyl-4-oxidanylidene-cinnolin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-cinnolin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-butyl-4-oxo-cinnolin-1-yl)methyl]benzonitrile CAS Name: 4-[(3-butyl-4-oxo-1-cinnolinyl)methyl]benzonitrile IUPAC Name: 4-[(3-butyl-4-oxocinnolin-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-butyl-4-keto-cinnolin-1-yl)methyl]benzonitrile Formula: C20H19N3O MolecularWeight: 317.38436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=NN(C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N3O/c1-2-3-7-18-20(24)17-6-4-5-8-19(17)23(22-18)14-16-11-9-15(13-21)10-12-16/h4-6,8-12H,2-3,7,14H2,1H3