(4E,5E)-4,5-di(butylidene)-1-(phenylmethyl)azepane

Systemtic Name: (4E,5E)-4,5-di(butylidene)-1-(phenylmethyl)azepane Openeye Name: (4E,5E)-1-benzyl-4,5-di(butylidene)azepane CAS Name: (4E,5E)-4,5-di(butylidene)-1-(phenylmethyl)azepane IUPAC Name: (4E,5E)-1-benzyl-4,5-di(butylidene)azepane Traditional Name: (4E,5E)-1-benzyl-4,5-di(butylidene)azepane Formula: C21H31N MolecularWeight: 297.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=C1CCN(CCC1=CCCC)CC2=CC=CC=C2

Isomeric SMILES

CCC/C=C\1/C(=C/CCC)/CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C21H31N/c1-3-5-12-20-14-16-22(17-15-21(20)13-6-4-2)18-19-10-8-7-9-11-19/h7-13H,3-6,14-18H2,1-2H3/b20-12+,21-13+