ethyl 4-(7-fluoranyl-10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(7-fluoranyl-10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(7-fluoro-10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate CAS Name: 4-(7-fluoro-10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(7-fluoro-10H-thieno[3,4-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(7-fluoro-10H-thieno[3,4-b][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=NC3=C(C=CC(=C3)F)NC4=CSC=C42

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3)F)NC4=CSC=C42

InChI

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