hexyl 2-azanyl-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)N

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)N

InChI

InChI=1S/C21H28N4O2/c1-3-5-7-10-14-27-21(26)17-18-20(25(19(17)22)13-6-4-2)24-16-12-9-8-11-15(16)23-18/h8-9,11-12H,3-7,10,13-14,22H2,1-2H3