ethyl 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoranyl-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoro-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25FN4O4/c1-2-31-22(28)25-11-9-24(10-12-25)20-14-19(18(23)13-21(20)27(29)30)26-8-7-16-5-3-4-6-17(16)15-26/h3-6,13-14H,2,7-12,15H2,1H3