4-[4-(5-propyloxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-propyloxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-propyltetrahydropyran-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-propyl-2-oxanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-propyloxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-propyltetrahydropyran-2-yl)phenyl]benzonitrile Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23NO/c1-2-3-17-6-13-21(23-15-17)20-11-9-19(10-12-20)18-7-4-16(14-22)5-8-18/h4-5,7-12,17,21H,2-3,6,13,15H2,1H3