3-(6-heptyloxan-3-yl)-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-(6-heptyloxan-3-yl)-4-phenyl-benzenecarbonitrile Openeye Name: 3-(6-heptyltetrahydropyran-3-yl)-4-phenyl-benzonitrile CAS Name: 3-(6-heptyl-3-oxanyl)-4-phenylbenzonitrile IUPAC Name: 3-(6-heptyloxan-3-yl)-4-phenylbenzonitrile Traditional Name: 3-(6-heptyltetrahydropyran-3-yl)-4-phenyl-benzonitrile Formula: C25H31NO MolecularWeight: 361.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CO1)C2=C(C=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1CCC(CO1)C2=C(C=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO/c1-2-3-4-5-9-12-23-15-14-22(19-27-23)25-17-20(18-26)13-16-24(25)21-10-7-6-8-11-21/h6-8,10-11,13,16-17,22-23H,2-5,9,12,14-15,19H2,1H3