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

Systemtic Name: nonyl 2-azanyl-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 2-amino-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(2-chlorophenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid nonyl ester IUPAC Name: nonyl 2-amino-1-[(2-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2-chlorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid nonyl ester Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4Cl)N

Isomeric SMILES

CCCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4Cl)N

InChI

InChI=1S/C27H31ClN4O2/c1-2-3-4-5-6-7-12-17-34-27(33)23-24-26(31-22-16-11-10-15-21(22)30-24)32(25(23)29)18-19-13-8-9-14-20(19)28/h8-11,13-16H,2-7,12,17-18,29H2,1H3