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

Systemtic Name: 2-methylbutyl 2-azanyl-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-hexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-hexylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC(C)CC)N

Isomeric SMILES

CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC(C)CC)N

InChI

InChI=1S/C22H30N4O2/c1-4-6-7-10-13-26-20(23)18(22(27)28-14-15(3)5-2)19-21(26)25-17-12-9-8-11-16(17)24-19/h8-9,11-12,15H,4-7,10,13-14,23H2,1-3H3