4-(1,5,5a,6,9,9a-hexahydro-2,4-benzodioxepin-3-yl)benzenecarbonitrile

Systemtic Name: 4-(1,5,5a,6,9,9a-hexahydro-2,4-benzodioxepin-3-yl)benzenecarbonitrile Openeye Name: 4-(1,5,5a,6,9,9a-hexahydro-2,4-benzodioxepin-3-yl)benzonitrile CAS Name: 4-(1,5,5a,6,9,9a-hexahydro-2,4-benzodioxepin-3-yl)benzonitrile IUPAC Name: 4-(1,5,5a,6,9,9a-hexahydro-2,4-benzodioxepin-3-yl)benzonitrile Traditional Name: 4-(1,5,5a,6,9,9a-hexahydro-2,4-benzodioxepin-3-yl)benzonitrile Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C=CCC2C1COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17NO2/c17-9-12-5-7-13(8-6-12)16-18-10-14-3-1-2-4-15(14)11-19-16/h1-2,5-8,14-16H,3-4,10-11H2