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

Systemtic Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-phenethyl-acetamide CAS Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1-piperazinyl]-2-oxo-N-phenethylacetamide IUPAC Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-phenethylacetamide Traditional Name: 2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazino]-2-keto-N-phenethyl-acetamide Formula: C30H31N5O2 MolecularWeight: 493.59944

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H31N5O2/c31-21-26-24-13-7-8-14-25(24)27(23-11-5-2-6-12-23)33-28(26)34-17-19-35(20-18-34)30(37)29(36)32-16-15-22-9-3-1-4-10-22/h1-6,9-12H,7-8,13-20H2,(H,32,36)