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

Systemtic Name: 3-methylbutyl 2-azanyl-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-hexyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-hexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-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 isoamyl 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)OCCC(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-4-5-6-9-13-26-20(23)18(22(27)28-14-12-15(2)3)19-21(26)25-17-11-8-7-10-16(17)24-19/h7-8,10-11,15H,4-6,9,12-14,23H2,1-3H3