[(2S)-butan-2-yl] 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: [(2S)-butan-2-yl] 2-azanyl-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(1S)-1-methylpropyl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-bromophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(1S)-1-methylpropyl] ester Formula: C21H19BrN4O2 MolecularWeight: 439.30516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2/c1-3-12(2)28-21(27)17-18-20(25-16-7-5-4-6-15(16)24-18)26(19(17)23)14-10-8-13(22)9-11-14/h4-12H,3,23H2,1-2H3/t12-/m0/s1