heptyl 2-azanyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: heptyl 2-azanyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(2-oxolanylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(tetrahydrofurfuryl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4CCCO4)N

Isomeric SMILES

CCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4CCCO4)N

InChI

InChI=1S/C23H30N4O3/c1-2-3-4-5-8-13-30-23(28)19-20-22(26-18-12-7-6-11-17(18)25-20)27(21(19)24)15-16-10-9-14-29-16/h6-7,11-12,16H,2-5,8-10,13-15,24H2,1H3