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

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-butyl-4-oxo-1-quinolyl)methyl]benzonitrile CAS Name: 4-[(3-butyl-4-oxo-1-quinolinyl)methyl]benzonitrile IUPAC Name: 4-[(3-butyl-4-oxoquinolin-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-butyl-4-keto-1-quinolyl)methyl]benzonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O/c1-2-3-6-18-15-23(14-17-11-9-16(13-22)10-12-17)20-8-5-4-7-19(20)21(18)24/h4-5,7-12,15H,2-3,6,14H2,1H3