2-methylpropyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: isobutyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetic acid isobutyl ester Formula: C25H26FN5O2 MolecularWeight: 447.504643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN5O2/c1-17(2)16-33-25(32)20(15-27)23-24(29-22-6-4-3-5-21(22)28-23)31-13-11-30(12-14-31)19-9-7-18(26)8-10-19/h3-10,17,20H,11-14,16H2,1-2H3