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

Systemtic Name: heptyl 2-azanyl-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-butylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-butylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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