heptyl 2-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: heptyl 2-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)OCCO5)N

Isomeric SMILES

CCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)OCCO5)N

InChI

InChI=1S/C26H28N4O4/c1-2-3-4-5-8-13-34-26(31)22-23-25(29-19-10-7-6-9-18(19)28-23)30(24(22)27)17-11-12-20-21(16-17)33-15-14-32-20/h6-7,9-12,16H,2-5,8,13-15,27H2,1H3