2-azanyl-N-[(2S)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-[(2S)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(4-iodophenyl)-N-[(1S)-1-methylpropyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(2S)-butan-2-yl]-1-(4-iodophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(2S)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-iodophenyl)-N-[(1S)-1-methylpropyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H20IN5O MolecularWeight: 485.32087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)I)N

InChI

InChI=1S/C21H20IN5O/c1-3-12(2)24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(22)9-11-14/h4-12H,3,23H2,1-2H3,(H,24,28)/t12-/m0/s1