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

Systemtic Name: 2-[4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl]-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-phenethyl-acetamide CAS Name: 2-[4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1-piperazinyl]-2-oxo-N-phenethylacetamide IUPAC Name: 2-[4-[4-cyano-1-(2-methylpropyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl]-2-oxo-N-phenethylacetamide Traditional Name: 2-[4-(4-cyano-1-isobutyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazino]-2-keto-N-phenethyl-acetamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H35N5O2/c1-20(2)18-25-23-11-7-6-10-22(23)24(19-29)26(31-25)32-14-16-33(17-15-32)28(35)27(34)30-13-12-21-8-4-3-5-9-21/h3-5,8-9,20H,6-7,10-18H2,1-2H3,(H,30,34)