5-cyano-N-[2-(3-fluoranylpiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-cyano-N-[2-(3-fluoranylpiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-cyano-N-[2-(3-fluoro-1-piperidyl)-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 5-cyano-N-[2-(3-fluoro-1-piperidinyl)-4-(4-methyl-1-piperazinyl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-cyano-N-[2-(3-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-cyano-N-[2-(3-fluoropiperidino)-4-(4-methylpiperazino)phenyl]-1H-imidazole-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C65H79F6N21O5 MolecularWeight: 1348.450879

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)N4CCCC(C4)F.CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)N4CCCC(C4)F.CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)N4CCCC(C4)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)N4CCCC(C4)F.CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)N4CCCC(C4)F.CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)N4CCCC(C4)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/3C21H26FN7O.C2HF3O2/c3*1-27-7-9-28(10-8-27)17-4-5-18(19(11-17)29-6-2-3-15(22)14-29)26-21(30)20-24-13-16(12-23)25-20;3-2(4,5)1(6)7/h3*4-5,11,13,15H,2-3,6-10,14H2,1H3,(H,24,25)(H,26,30);(H,6,7)