ethyl 4-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C20H25N3O4/c1-3-27-20(26)22-12-10-21(11-13-22)19(25)14-18-17-7-5-4-6-16(17)8-9-23(18)15(2)24/h4-9,18H,3,10-14H2,1-2H3