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

Systemtic Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-phenethyl-acetamide CAS Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1-piperazinyl]-2-oxo-N-phenethylacetamide IUPAC Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-phenethylacetamide Traditional Name: 2-[4-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazino]-2-keto-N-phenethyl-acetamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2/c1-18-20-9-5-6-10-21(20)22(17-26)23(28-18)29-13-15-30(16-14-29)25(32)24(31)27-12-11-19-7-3-2-4-8-19/h2-4,7-8H,5-6,9-16H2,1H3,(H,27,31)