propan-2-yl 2-azanyl-1-(3-imidazol-1-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: propan-2-yl 2-azanyl-1-(3-imidazol-1-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopropyl 2-amino-1-(3-imidazol-1-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[3-(1-imidazolyl)propyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-amino-1-(3-imidazol-1-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(3-imidazol-1-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isopropyl ester Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCN4C=CN=C4)N

Isomeric SMILES

CC(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCN4C=CN=C4)N

InChI

InChI=1S/C20H22N6O2/c1-13(2)28-20(27)16-17-19(24-15-7-4-3-6-14(15)23-17)26(18(16)21)10-5-9-25-11-8-22-12-25/h3-4,6-8,11-13H,5,9-10,21H2,1-2H3