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

Systemtic Name: 2-azanyl-1-(4-bromophenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-bromophenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(4-bromophenyl)-N-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(4-bromophenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-bromophenyl)-N-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C24H26BrN5O MolecularWeight: 480.40014

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrN5O/c1-2-3-4-5-8-15-27-24(31)20-21-23(29-19-10-7-6-9-18(19)28-21)30(22(20)26)17-13-11-16(25)12-14-17/h6-7,9-14H,2-5,8,15,26H2,1H3,(H,27,31)