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

Systemtic Name: ethyl 4-(7-fluoranyl-5H-thieno[2,3-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(7-fluoro-5H-thieno[2,3-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate CAS Name: 4-(7-fluoro-5H-thieno[2,3-c][1,5]benzodiazepin-4-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-fluoro-5H-thieno[2,3-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-fluoro-5H-thieno[2,3-c][1,5]benzodiazepin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C18H19FN4O2S MolecularWeight: 374.432463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C3C(=NC4=C(N2)C=C(C=C4)F)C=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C3C(=NC4=C(N2)C=C(C=C4)F)C=CS3

InChI

InChI=1S/C18H19FN4O2S/c1-2-25-18(24)23-8-6-22(7-9-23)17-16-14(5-10-26-16)20-13-4-3-12(19)11-15(13)21-17/h3-5,10-11,21H,2,6-9H2,1H3