N-[4-[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide

Systemtic Name: N-[4-[[6-chloranyl-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide Openeye Name: N-[4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide CAS Name: N-[4-[[6-chloro-3-(3,5-dimethyl-1-pyrazolyl)-2-quinoxalinyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propanamide Traditional Name: N-[4-[[6-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]amino]phenyl]propionamide Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Cl)N=C2N4C(=CC(=N4)C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)Cl)N=C2N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H21ClN6O/c1-4-20(30)24-16-6-8-17(9-7-16)25-21-22(29-14(3)11-13(2)28-29)27-19-12-15(23)5-10-18(19)26-21/h5-12H,4H2,1-3H3,(H,24,30)(H,25,26)