3-(2-acetamido-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ethanoate

Systemtic Name: 3-(2-acetamido-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ethanoate Openeye Name: 3-(2-acetamido-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl acetate CAS Name: acetic acid 3-(2-acetamido-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)propyl ester IUPAC Name: 3-(2-acetamido-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)propyl acetate Traditional Name: acetic acid 3-(2-acetamido-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1CCCOC(=O)C)C#N

Isomeric SMILES

CC(=O)NC1=C(C2=NC3=CC=CC=C3N=C2N1CCCOC(=O)C)C#N

InChI

InChI=1S/C18H17N5O3/c1-11(24)20-17-13(10-19)16-18(23(17)8-5-9-26-12(2)25)22-15-7-4-3-6-14(15)21-16/h3-4,6-7H,5,8-9H2,1-2H3,(H,20,24)