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

Systemtic Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-bis(oxidanylidene)cyclobuten-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dioxo-cyclobuten-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dioxo-1-cyclobutenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3,4-diketo-cyclobuten-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H23N3O4/c1-2-27-20(26)22-11-9-21(10-12-22)16-17(19(25)18(16)24)23-8-7-14-5-3-4-6-15(14)13-23/h3-6H,2,7-13H2,1H3