ethyl 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1-piperazinyl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxoacetate Traditional Name: 2-[4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazino]-2-keto-acetic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C(C)C

Isomeric SMILES

CCOC(=O)C(=O)N1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C(C)C

InChI

InChI=1S/C21H28N4O3/c1-4-28-21(27)20(26)25-11-9-24(10-12-25)19-17(13-22)15-7-5-6-8-16(15)18(23-19)14(2)3/h14H,4-12H2,1-3H3