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

Systemtic Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-butanoic acid CAS Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]-2,2-dimethyl-butyric acid Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1CCN(CC1)C2=C3C(=CSC3=NC4=CC=CC=C4N2)OC)C(=O)O

Isomeric SMILES

CC(C)(CCN1CCN(CC1)C2=C3C(=CSC3=NC4=CC=CC=C4N2)OC)C(=O)O

InChI

InChI=1S/C22H28N4O3S/c1-22(2,21(27)28)8-9-25-10-12-26(13-11-25)19-18-17(29-3)14-30-20(18)24-16-7-5-4-6-15(16)23-19/h4-7,14,23H,8-13H2,1-3H3,(H,27,28)