3-[2-(azetidin-1-ylmethyl)phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[2-(azetidin-1-ylmethyl)phenyl]carbonylbenzenecarbonitrile Openeye Name: 3-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile CAS Name: 3-[[2-(1-azetidinylmethyl)phenyl]-oxomethyl]benzonitrile IUPAC Name: 3-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile Traditional Name: 3-[2-(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=C2C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(C1)CC2=CC=CC=C2C(=O)C3=CC=CC(=C3)C#N

InChI

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