1-[3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[3-[1-cyano-2-(hexylamino)-2-oxo-ethyl]quinoxalin-2-yl]piperidine-4-carboxamide CAS Name: 1-[3-[1-cyano-2-(hexylamino)-2-oxoethyl]-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[1-cyano-2-(hexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[3-[1-cyano-2-(hexylamino)-2-keto-ethyl]quinoxalin-2-yl]isonipecotamide Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)N

Isomeric SMILES

CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)N

InChI

InChI=1S/C23H30N6O2/c1-2-3-4-7-12-26-23(31)17(15-24)20-22(28-19-9-6-5-8-18(19)27-20)29-13-10-16(11-14-29)21(25)30/h5-6,8-9,16-17H,2-4,7,10-14H2,1H3,(H2,25,30)(H,26,31)