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

Systemtic Name: heptyl 2-azanyl-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 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)CC4=CC=C(C=C4)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2/c1-2-3-4-5-8-15-32-25(31)21-22-24(29-20-10-7-6-9-19(20)28-22)30(23(21)27)16-17-11-13-18(26)14-12-17/h6-7,9-14H,2-5,8,15-16,27H2,1H3