N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; pentanal

Systemtic Name: N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; pentanal Openeye Name: N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; pentanal CAS Name: N,N-diethyl-3-bicyclo[2.2.2]octa-1,3,5,7-tetraenamine; pentanal IUPAC Name: N,N-diethylbicyclo[2.2.2]octa-1,3,5,7-tetraen-3-amine; pentanal Traditional Name: 3-bicyclo[2.2.2]octa-1,3,5,7-tetraenyl(diethyl)amine; valeraldehyde Formula: C17H25NO MolecularWeight: 259.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=O.CCN(CC)C1=C2C=CC(=C1)C=C2

Isomeric SMILES

CCCCC=O.CCN(CC)C1=C2C=CC(=C1)C=C2

InChI

InChI=1S/C12H15N.C5H10O/c1-3-13(4-2)12-9-10-5-7-11(12)8-6-10;1-2-3-4-5-6/h5-9H,3-4H2,1-2H3;5H,2-4H2,1H3