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

Systemtic Name: [(2S)-butan-2-yl] 2-azanyl-1-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(1S)-1-methylpropyl] 2-amino-1-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-cyclohexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-cyclohexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid [(1S)-1-methylpropyl] ester Formula: C21H26N4O2 MolecularWeight: 366.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4CCCCC4)N

Isomeric SMILES

CC[C@H](C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4CCCCC4)N

InChI

InChI=1S/C21H26N4O2/c1-3-13(2)27-21(26)17-18-20(24-16-12-8-7-11-15(16)23-18)25(19(17)22)14-9-5-4-6-10-14/h7-8,11-14H,3-6,9-10,22H2,1-2H3/t13-/m0/s1