2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl]-2-oxidanylidene-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl]-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-[4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl]-2-oxo-N-phenethyl-acetamide CAS Name: 2-[4-[4-cyano-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1-piperazinyl]-2-oxo-N-phenethylacetamide IUPAC Name: 2-[4-[4-cyano-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl]-2-oxo-N-phenethylacetamide Traditional Name: 2-[4-[4-cyano-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazino]-2-keto-N-phenethyl-acetamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CCN(CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C28H29N5O3/c29-19-23-21-9-4-5-10-22(21)25(24-11-6-18-36-24)31-26(23)32-14-16-33(17-15-32)28(35)27(34)30-13-12-20-7-2-1-3-8-20/h1-3,6-8,11,18H,4-5,9-10,12-17H2,(H,30,34)