3-[4-(3-oxidanylpropyl)cyclohexyl]-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-[4-(3-oxidanylpropyl)cyclohexyl]-4-phenyl-benzenecarbonitrile Openeye Name: 3-[4-(3-hydroxypropyl)cyclohexyl]-4-phenyl-benzonitrile CAS Name: 3-[4-(3-hydroxypropyl)cyclohexyl]-4-phenylbenzonitrile IUPAC Name: 3-[4-(3-hydroxypropyl)cyclohexyl]-4-phenylbenzonitrile Traditional Name: 3-[4-(3-hydroxypropyl)cyclohexyl]-4-phenyl-benzonitrile Formula: C22H25NO MolecularWeight: 319.44

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCCO)C2=C(C=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCC1CCCO)C2=C(C=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO/c23-16-18-10-13-21(19-6-2-1-3-7-19)22(15-18)20-11-8-17(9-12-20)5-4-14-24/h1-3,6-7,10,13,15,17,20,24H,4-5,8-9,11-12,14H2