N-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]methyl]phenyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[3-[[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]methyl]phenyl]-3-pyrrol-1-yl-benzamide Formula: C29H33N3O MolecularWeight: 439.59182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C29H33N3O/c1-5-31(18-8-6-7-17-29(2,3)4)23-24-13-11-15-26(21-24)30-28(33)25-14-12-16-27(22-25)32-19-9-10-20-32/h6,8-16,19-22H,5,18,23H2,1-4H3,(H,30,33)/b8-6+