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

Systemtic Name: 3-methylbutyl 2-azanyl-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-pentyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-pentyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-amyl-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:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCC(C)C)N

Isomeric SMILES

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCCC(C)C)N

InChI

InChI=1S/C21H28N4O2/c1-4-5-8-12-25-19(22)17(21(26)27-13-11-14(2)3)18-20(25)24-16-10-7-6-9-15(16)23-18/h6-7,9-10,14H,4-5,8,11-13,22H2,1-3H3