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

Systemtic Name: 2-azanyl-1-(4-bromanyl-3-methyl-phenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-bromo-3-methyl-phenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-bromo-3-methylphenyl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-bromo-3-methylphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-bromo-3-methyl-phenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H28BrN5O MolecularWeight: 494.42672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN5O/c1-3-4-5-6-9-14-28-25(32)21-22-24(30-20-11-8-7-10-19(20)29-22)31(23(21)27)17-12-13-18(26)16(2)15-17/h7-8,10-13,15H,3-6,9,14,27H2,1-2H3,(H,28,32)