(1-phenylpyrazol-4-yl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-2-3-15-28-23-12-8-7-11-21(23)27-22(25(28)31)13-14-24(30)32-18-19-16-26-29(17-19)20-9-5-4-6-10-20/h4-12,16-17H,2-3,13-15,18H2,1H3