3-[7-(5-azanylpentyl)-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-[7-(5-azanylpentyl)-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-[7-(5-aminopentyl)-1-(4-chlorophenyl)-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid; 2,2,2-trifluoroacetic acid Formula: C25H27ClF3N3O6 MolecularWeight: 557.94659

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1CCC(=O)O)C3=CC=C(C=C3)Cl.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1CCC(=O)O)C3=CC=C(C=C3)Cl.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C23H26ClN3O4.C2HF3O2/c24-17-6-8-18(9-7-17)27-20-10-5-16(4-2-1-3-12-25)14-19(20)23(31)26(15-21(27)28)13-11-22(29)30;3-2(4,5)1(6)7/h5-10,14H,1-4,11-13,15,25H2,(H,29,30);(H,6,7)