methyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-29-21(28)16-4-2-15(3-5-16)20(27)25-12-10-24(11-13-25)14-19(26)23-18-8-6-17(22)7-9-18/h2-9H,10-14H2,1H3,(H,23,26)