heptyl 2-azanyl-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: heptyl 2-azanyl-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-butyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-3-5-7-8-11-15-28-22(27)18-19-21(26(20(18)23)14-6-4-2)25-17-13-10-9-12-16(17)24-19/h9-10,12-13H,3-8,11,14-15,23H2,1-2H3