3-[4-(7-fluoranyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-(7-fluoranyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-(7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-(7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-(7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-(7-fluoro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]-2,2-dimethyl-propionic acid Formula: C20H23FN4O2S MolecularWeight: 402.485623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=C3C=CSC3=NC4=C(N2)C=C(C=C4)F)C(=O)O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=C3C=CSC3=NC4=C(N2)C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C20H23FN4O2S/c1-20(2,19(26)27)12-24-6-8-25(9-7-24)17-14-5-10-28-18(14)23-15-4-3-13(21)11-16(15)22-17/h3-5,10-11,22H,6-9,12H2,1-2H3,(H,26,27)