1-(4-chlorophenyl)-3-[1-[4-(3-methyl-5-oxidanylidene-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(4-chlorophenyl)-3-[1-[4-(3-methyl-5-oxidanylidene-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(4-chlorophenyl)-3-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxo-1-(4-pyridylmethyl)ethyl]urea; 2,2,2-trifluoroacetic acid CAS Name: 1-(4-chlorophenyl)-3-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)-1-piperazinyl]-1-oxo-3-pyridin-4-ylpropan-2-yl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(4-chlorophenyl)-3-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxo-3-pyridin-4-ylpropan-2-yl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-(4-chlorophenyl)-3-[2-keto-2-[4-(5-keto-3-methyl-7H-imidaz[1,5-c]imidazol-6-yl)piperazino]-1-(4-pyridylmethyl)ethyl]urea; 2,2,2-trifluoroacetic acid Formula: C31H30ClF9N8O9 MolecularWeight: 865.056729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2N1C(=O)N(C2)N3CCN(CC3)C(=O)C(CC4=CC=NC=C4)NC(=O)NC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=NC=C2N1C(=O)N(C2)N3CCN(CC3)C(=O)C(CC4=CC=NC=C4)NC(=O)NC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C25H27ClN8O3.3C2HF3O2/c1-17-28-15-21-16-33(25(37)34(17)21)32-12-10-31(11-13-32)23(35)22(14-18-6-8-27-9-7-18)30-24(36)29-20-4-2-19(26)3-5-20;3*3-2(4,5)1(6)7/h2-9,15,22H,10-14,16H2,1H3,(H2,29,30,36);3*(H,6,7)