(phenylmethyl) 2-azanyl-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-heptyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-heptylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-heptyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C25H28N4O2/c1-2-3-4-5-11-16-29-23(26)21(25(30)31-17-18-12-7-6-8-13-18)22-24(29)28-20-15-10-9-14-19(20)27-22/h6-10,12-15H,2-5,11,16-17,26H2,1H3