4-[[4-[[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazino]methyl]benzonitrile Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5

InChI

InChI=1S/C27H26N4O3/c28-17-20-7-9-21(10-8-20)18-29-11-13-30(14-12-29)26(32)24-16-22-4-1-2-5-23(22)19-31(24)27(33)25-6-3-15-34-25/h1-10,15,24H,11-14,16,18-19H2