methyl 2-azanyl-1-(7-methyloctan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: methyl 2-azanyl-1-(7-methyloctan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: methyl 2-amino-1-(1,6-dimethylheptyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(7-methyloctan-2-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-1-(7-methyloctan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(1,6-dimethylheptyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid methyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OC)N

Isomeric SMILES

CC(C)CCCCC(C)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OC)N

InChI

InChI=1S/C21H28N4O2/c1-13(2)9-5-6-10-14(3)25-19(22)17(21(26)27-4)18-20(25)24-16-12-8-7-11-15(16)23-18/h7-8,11-14H,5-6,9-10,22H2,1-4H3