hexyl 2-azanyl-1-(4-butan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-(4-butan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-(4-sec-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-butan-2-ylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-(4-butan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-sec-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c1-4-6-7-10-17-33-27(32)23-24-26(30-22-12-9-8-11-21(22)29-24)31(25(23)28)20-15-13-19(14-16-20)18(3)5-2/h8-9,11-16,18H,4-7,10,17,28H2,1-3H3