pentyl 2-acetamido-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-acetamido-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-acetamido-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-acetamido-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-acetamido-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-acetamido-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C26H28N4O3/c1-3-4-10-17-33-26(32)22-23-25(29-21-14-9-8-13-20(21)28-23)30(24(22)27-18(2)31)16-15-19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-17H2,1-2H3,(H,27,31)