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

Systemtic Name: cyclohexyl 2-azanyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: cyclohexyl 2-amino-1-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(4-methylphenyl)methyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-amino-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid cyclohexyl ester Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC5CCCCC5)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC5CCCCC5)N

InChI

InChI=1S/C25H26N4O2/c1-16-11-13-17(14-12-16)15-29-23(26)21(25(30)31-18-7-3-2-4-8-18)22-24(29)28-20-10-6-5-9-19(20)27-22/h5-6,9-14,18H,2-4,7-8,15,26H2,1H3