4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-ynyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-ynyl-piperazine-1-carboxamide Openeye Name: 4-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-prop-2-ynyl-piperazine-1-carboxamide CAS Name: 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-prop-2-ynyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-prop-2-ynylpiperazine-1-carboxamide Traditional Name: 4-[2-(3-fluoroanilino)-2-keto-ethyl]-N-propargyl-piperazine-1-carboxamide Formula: C16H19FN4O2 MolecularWeight: 318.346063

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)N1CCN(CC1)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C#CCNC(=O)N1CCN(CC1)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C16H19FN4O2/c1-2-6-18-16(23)21-9-7-20(8-10-21)12-15(22)19-14-5-3-4-13(17)11-14/h1,3-5,11H,6-10,12H2,(H,18,23)(H,19,22)