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

Systemtic Name: heptyl 2-azanyl-1-(3-chloranyl-4-methyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2/c1-3-4-5-6-9-14-32-25(31)21-22-24(29-20-11-8-7-10-19(20)28-22)30(23(21)27)17-13-12-16(2)18(26)15-17/h7-8,10-13,15H,3-6,9,14,27H2,1-2H3