N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-methyl-benzamide Openeye Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-methyl-benzamide CAS Name: N-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-4-methylbenzamide IUPAC Name: N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-methylbenzamide Traditional Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-methyl-benzamide Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N

InChI

InChI=1S/C21H18N6O/c1-13-6-8-14(9-7-13)21(28)24-10-11-27-19(23)15(12-22)18-20(27)26-17-5-3-2-4-16(17)25-18/h2-9H,10-11,23H2,1H3,(H,24,28)