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

Systemtic Name: 4-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-N-(4-methoxyphenyl)benzamide Openeye Name: 4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-N-(4-methoxyphenyl)benzamide CAS Name: 4-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(4-methoxyphenyl)benzamide Traditional Name: 4-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)-N-(4-methoxyphenyl)benzamide Formula: C25H18N6O2 MolecularWeight: 434.44942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C4=NC5=CC=CC=C5N=C43)C#N)N

InChI

InChI=1S/C25H18N6O2/c1-33-18-12-8-16(9-13-18)28-25(32)15-6-10-17(11-7-15)31-23(27)19(14-26)22-24(31)30-21-5-3-2-4-20(21)29-22/h2-13H,27H2,1H3,(H,28,32)