4-[[5-(3-oxidanylidenepropyl)imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(3-oxidanylidenepropyl)imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(3-oxopropyl)imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-(3-oxopropyl)-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-(3-oxopropyl)imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-(3-ketopropyl)imidazol-1-yl]methyl]benzonitrile Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=C2CCC=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=C2CCC=O)C#N

InChI

InChI=1S/C14H13N3O/c15-8-12-3-5-13(6-4-12)10-17-11-16-9-14(17)2-1-7-18/h3-7,9,11H,1-2,10H2