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

Systemtic Name: 2-methylbutyl 2-azanyl-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: 2-methylbutyl 2-amino-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(4-chlorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-amino-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-chlorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid 2-methylbutyl ester Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C23H23ClN4O2/c1-3-14(2)13-30-23(29)19-20-22(27-18-7-5-4-6-17(18)26-20)28(21(19)25)12-15-8-10-16(24)11-9-15/h4-11,14H,3,12-13,25H2,1-2H3