N-(5-bromanyl-2-piperazin-1-yl-phenyl)-4-oxidanylidene-chromene-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(5-bromanyl-2-piperazin-1-yl-phenyl)-4-oxidanylidene-chromene-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(5-bromo-2-piperazin-1-yl-phenyl)-4-oxo-chromene-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[5-bromo-2-(1-piperazinyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(5-bromo-2-piperazin-1-ylphenyl)-4-oxochromene-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-(5-bromo-2-piperazino-phenyl)-4-keto-chromene-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C22H19BrF3N3O5 MolecularWeight: 542.30257

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC(=O)C4=CC=CC=C4O3.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC(=O)C4=CC=CC=C4O3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H18BrN3O3.C2HF3O2/c21-13-5-6-16(24-9-7-22-8-10-24)15(11-13)23-20(26)19-12-17(25)14-3-1-2-4-18(14)27-19;3-2(4,5)1(6)7/h1-6,11-12,22H,7-10H2,(H,23,26);(H,6,7)