2-azanyl-1-(3-iodanylphenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3-iodanylphenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3-iodophenyl)-N-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-iodophenyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-iodophenyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3-iodophenyl)-N-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H22IN5O MolecularWeight: 499.34745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)I)N

Isomeric SMILES

CC(C)CCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)I)N

InChI

InChI=1S/C22H22IN5O/c1-13(2)10-11-25-22(29)18-19-21(27-17-9-4-3-8-16(17)26-19)28(20(18)24)15-7-5-6-14(23)12-15/h3-9,12-13H,10-11,24H2,1-2H3,(H,25,29)