3-azanyl-8-piperazin-1-yl-chromen-2-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-8-piperazin-1-yl-chromen-2-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-8-piperazin-1-yl-chromen-2-one; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-8-(1-piperazinyl)-1-benzopyran-2-one; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-8-piperazin-1-ylchromen-2-one; 2,2,2-trifluoroacetic acid Traditional Name: 3-amino-8-piperazino-coumarin; 2,2,2-trifluoroacetic acid Formula: C15H16F3N3O4 MolecularWeight: 359.30045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H15N3O2.C2HF3O2/c14-10-8-9-2-1-3-11(12(9)18-13(10)17)16-6-4-15-5-7-16;3-2(4,5)1(6)7/h1-3,8,15H,4-7,14H2;(H,6,7)