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

Systemtic Name: methyl 2-cyano-2-[3-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(4-isopropylbenzoyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-[3-(4-cumoylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-17(2)18-8-10-19(11-9-18)25(32)31-14-12-30(13-15-31)24-23(20(16-27)26(33)34-3)28-21-6-4-5-7-22(21)29-24/h4-11,17,20H,12-15H2,1-3H3