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

Systemtic Name: (phenylmethyl) 2-azanyl-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 2-amino-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid benzyl ester Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N4O2/c1-2-3-13-26-20(23)18(22(27)28-14-15-9-5-4-6-10-15)19-21(26)25-17-12-8-7-11-16(17)24-19/h4-12H,2-3,13-14,23H2,1H3