4-[3-(6-propyloxan-3-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-(6-propyloxan-3-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[3-(6-propyltetrahydropyran-3-yl)phenyl]benzonitrile CAS Name: 4-[3-(6-propyl-3-oxanyl)phenyl]benzonitrile IUPAC Name: 4-[3-(6-propyloxan-3-yl)phenyl]benzonitrile Traditional Name: 4-[3-(6-propyltetrahydropyran-3-yl)phenyl]benzonitrile Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CO1)C2=CC=CC(=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1CCC(CO1)C2=CC=CC(=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23NO/c1-2-4-21-12-11-20(15-23-21)19-6-3-5-18(13-19)17-9-7-16(14-22)8-10-17/h3,5-10,13,20-21H,2,4,11-12,15H2,1H3