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

Systemtic Name: heptyl 2-azanyl-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-octyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-octylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-octyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCCCCCC)N

Isomeric SMILES

CCCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCCCCCC)N

InChI

InChI=1S/C26H38N4O2/c1-3-5-7-9-10-14-18-30-24(27)22(26(31)32-19-15-11-8-6-4-2)23-25(30)29-21-17-13-12-16-20(21)28-23/h12-13,16-17H,3-11,14-15,18-19,27H2,1-2H3