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

Systemtic Name: 2-methylbutyl 2-azanyl-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-heptylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C23H32N4O2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC(C)CC)N

Isomeric SMILES

CCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC(C)CC)N

InChI

InChI=1S/C23H32N4O2/c1-4-6-7-8-11-14-27-21(24)19(23(28)29-15-16(3)5-2)20-22(27)26-18-13-10-9-12-17(18)25-20/h9-10,12-13,16H,4-8,11,14-15,24H2,1-3H3