1-[[4-(3-bromanyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[4-(3-bromanyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[[4-(3-bromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]methyl]cyclopropanecarboxylic acid CAS Name: 1-[[4-(3-bromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[4-(3-bromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[[4-(3-bromo-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]methyl]cyclopropanecarboxylic acid Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CN2CCN(CC2)C3=C4C(=CSC4=NC5=CC=CC=C5N3)Br)C(=O)O

Isomeric SMILES

C1CC1(CN2CCN(CC2)C3=C4C(=CSC4=NC5=CC=CC=C5N3)Br)C(=O)O

InChI

InChI=1S/C20H21BrN4O2S/c21-13-11-28-18-16(13)17(22-14-3-1-2-4-15(14)23-18)25-9-7-24(8-10-25)12-20(5-6-20)19(26)27/h1-4,11,22H,5-10,12H2,(H,26,27)