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

Systemtic Name: 3-methylbutyl 2-azanyl-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-isopentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCC(C)C)N

Isomeric SMILES

CC(C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCC(C)C)N

InChI

InChI=1S/C21H28N4O2/c1-13(2)9-11-25-19(22)17(21(26)27-12-10-14(3)4)18-20(25)24-16-8-6-5-7-15(16)23-18/h5-8,13-14H,9-12,22H2,1-4H3