2-azanyl-1-(4-bromanyl-3-methyl-phenyl)-N-propyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(4-bromanyl-3-methyl-phenyl)-N-propyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-bromo-3-methyl-phenyl)-N-propyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-bromo-3-methylphenyl)-N-propyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-bromo-3-methylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-bromo-3-methyl-phenyl)-N-propyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Br)C)N

Isomeric SMILES

CCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)Br)C)N

InChI

InChI=1S/C21H20BrN5O/c1-3-10-24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)13-8-9-14(22)12(2)11-13/h4-9,11H,3,10,23H2,1-2H3,(H,24,28)