N-[1-[(2S)-butan-2-yl]-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide

Systemtic Name: N-[1-[(2S)-butan-2-yl]-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[3-cyano-1-[(1S)-1-methylpropyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: N-[1-[(2S)-butan-2-yl]-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-[1-[(2S)-butan-2-yl]-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-[3-cyano-1-[(1S)-1-methylpropyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)N1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5O/c1-3-14(2)27-20(26-22(28)15-9-5-4-6-10-15)16(13-23)19-21(27)25-18-12-8-7-11-17(18)24-19/h4-12,14H,3H2,1-2H3,(H,26,28)/t14-/m0/s1