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

Systemtic Name: 4-chloranyl-N-[3-cyano-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: 4-chloro-N-[3-cyano-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: 4-chloro-N-[3-cyano-1-(4-methoxyphenyl)-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: 4-chloro-N-[3-cyano-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: 4-chloro-N-[3-cyano-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Formula: C25H16ClN5O2 MolecularWeight: 453.87984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H16ClN5O2/c1-33-18-12-10-17(11-13-18)31-23(30-25(32)15-6-8-16(26)9-7-15)19(14-27)22-24(31)29-21-5-3-2-4-20(21)28-22/h2-13H,1H3,(H,30,32)