4-[3-(azetidin-1-ylmethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-(azetidin-1-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile CAS Name: 4-[[3-(1-azetidinylmethyl)phenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile Traditional Name: 4-[3-(azetidin-1-ylmethyl)benzoyl]benzonitrile Formula: C18H16N2O MolecularWeight: 276.33244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)CC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(C1)CC2=CC=CC(=C2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N2O/c19-12-14-5-7-16(8-6-14)18(21)17-4-1-3-15(11-17)13-20-9-2-10-20/h1,3-8,11H,2,9-10,13H2