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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N)Cl

InChI

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