ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H25N3O3/c1-2-24-18(23)20-11-9-19(10-12-20)14-17(22)21-8-7-15-5-3-4-6-16(15)13-21/h3-6H,2,7-14H2,1H3