[(2S)-2-methylbutyl] 2-azanyl-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: [(2S)-2-methylbutyl] 2-azanyl-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(2S)-2-methylbutyl] 2-amino-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-phenyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 2-amino-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(2S)-2-methylbutyl] ester Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2/c1-3-14(2)13-28-22(27)18-19-21(25-17-12-8-7-11-16(17)24-19)26(20(18)23)15-9-5-4-6-10-15/h4-12,14H,3,13,23H2,1-2H3/t14-/m0/s1