2,2-dimethyl-4-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]butanoic acid

Systemtic Name: 2,2-dimethyl-4-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]butanoic acid Openeye Name: 2,2-dimethyl-4-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]butanoic acid CAS Name: 2,2-dimethyl-4-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]butanoic acid IUPAC Name: 2,2-dimethyl-4-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]butanoic acid Traditional Name: 2,2-dimethyl-4-[4-(3-methyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]butyric acid Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC3=CC=CC=C3NC(=C12)N4CCN(CC4)CCC(C)(C)C(=O)O

Isomeric SMILES

CC1=CSC2=NC3=CC=CC=C3NC(=C12)N4CCN(CC4)CCC(C)(C)C(=O)O

InChI

InChI=1S/C22H28N4O2S/c1-15-14-29-20-18(15)19(23-16-6-4-5-7-17(16)24-20)26-12-10-25(11-13-26)9-8-22(2,3)21(27)28/h4-7,14,23H,8-13H2,1-3H3,(H,27,28)