(4-cyanophenyl)methyl 2-[3-(1-methylimidazol-2-yl)-2-oxidanylidene-quinoxalin-1-yl]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[3-(1-methylimidazol-2-yl)-2-oxidanylidene-quinoxalin-1-yl]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[3-(1-methylimidazol-2-yl)-2-oxo-quinoxalin-1-yl]acetate CAS Name: 2-[3-(1-methyl-2-imidazolyl)-2-oxo-1-quinoxalinyl]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate Traditional Name: 2-[2-keto-3-(1-methylimidazol-2-yl)quinoxalin-1-yl]acetic acid (4-cyanobenzyl) ester Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=NC3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C=CN=C1C2=NC3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H17N5O3/c1-26-11-10-24-21(26)20-22(29)27(18-5-3-2-4-17(18)25-20)13-19(28)30-14-16-8-6-15(12-23)7-9-16/h2-11H,13-14H2,1H3