4-(3-oxidanylidene-2-phenyl-heptyl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidene-2-phenyl-heptyl)benzenecarbonitrile Openeye Name: 4-(3-oxo-2-phenyl-heptyl)benzonitrile CAS Name: 4-(3-oxo-2-phenylheptyl)benzonitrile IUPAC Name: 4-(3-oxo-2-phenylheptyl)benzonitrile Traditional Name: 4-(3-keto-2-phenyl-heptyl)benzonitrile Formula: C20H21NO MolecularWeight: 291.38684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO/c1-2-3-9-20(22)19(18-7-5-4-6-8-18)14-16-10-12-17(15-21)13-11-16/h4-8,10-13,19H,2-3,9,14H2,1H3