N-[(2-ethoxypyridin-3-yl)methyl]-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazine-1-carboxamide Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN5O3/c1-2-30-20-16(4-3-9-23-20)14-24-21(29)27-12-10-26(11-13-27)15-19(28)25-18-7-5-17(22)6-8-18/h3-9H,2,10-15H2,1H3,(H,24,29)(H,25,28)