methyl 2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2/c1-30-23(29)18(15-24)21-22(26-20-10-6-5-9-19(20)25-21)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,18H,11-14,16H2,1H3