methyl 2-cyano-2-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(4-ethylbenzoyl)piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C25H25N5O3/c1-3-17-8-10-18(11-9-17)24(31)30-14-12-29(13-15-30)23-22(19(16-26)25(32)33-2)27-20-6-4-5-7-21(20)28-23/h4-11,19H,3,12-15H2,1-2H3