methyl 2-cyano-2-[3-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-[2-keto-2-(propylamino)ethyl]piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C21H26N6O3/c1-3-8-23-18(28)14-26-9-11-27(12-10-26)20-19(15(13-22)21(29)30-2)24-16-6-4-5-7-17(16)25-20/h4-7,15H,3,8-12,14H2,1-2H3,(H,23,28)