N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbonylamino]-2-methyl-phenyl]quinoxaline-6-carboxamide

Systemtic Name: N-[5-[[3-(2-cyanopropan-2-yl)phenyl]carbonylamino]-2-methyl-phenyl]quinoxaline-6-carboxamide Openeye Name: N-[5-[[3-(1-cyano-1-methyl-ethyl)benzoyl]amino]-2-methyl-phenyl]quinoxaline-6-carboxamide CAS Name: N-[5-[[[3-(2-cyanopropan-2-yl)phenyl]-oxomethyl]amino]-2-methylphenyl]-6-quinoxalinecarboxamide IUPAC Name: N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]quinoxaline-6-carboxamide Traditional Name: N-[5-[[3-(1-cyano-1-methyl-ethyl)benzoyl]amino]-2-methyl-phenyl]quinoxaline-6-carboxamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC(=O)C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C27H23N5O2/c1-17-7-9-21(31-25(33)18-5-4-6-20(13-18)27(2,3)16-28)15-23(17)32-26(34)19-8-10-22-24(14-19)30-12-11-29-22/h4-15H,1-3H3,(H,31,33)(H,32,34)