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

Systemtic Name: heptyl 2-azanyl-1-(4-butan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C28H34N4O2 MolecularWeight: 458.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O2/c1-4-6-7-8-11-18-34-28(33)24-25-27(31-23-13-10-9-12-22(23)30-25)32(26(24)29)21-16-14-20(15-17-21)19(3)5-2/h9-10,12-17,19H,4-8,11,18,29H2,1-3H3