ethyl 4-(2-ethyl-7-fluoranyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-ethyl-7-fluoranyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-ethyl-7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2-ethyl-7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethyl-7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-ethyl-7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C20H23FN4O2S MolecularWeight: 402.485623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NC3=C(C=CC(=C3)F)N=C2S1)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(NC3=C(C=CC(=C3)F)N=C2S1)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C20H23FN4O2S/c1-3-14-12-15-18(24-7-9-25(10-8-24)20(26)27-4-2)22-17-11-13(21)5-6-16(17)23-19(15)28-14/h5-6,11-12,22H,3-4,7-10H2,1-2H3