2-methylbutyl 2-azanyl-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 2-methylbutyl 2-azanyl-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-chlorophenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C22H21ClN4O2/c1-3-13(2)12-29-22(28)18-19-21(26-17-7-5-4-6-16(17)25-19)27(20(18)24)15-10-8-14(23)9-11-15/h4-11,13H,3,12,24H2,1-2H3