ethyl 2-azanyl-1-[(3S)-heptan-3-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-azanyl-1-[(3S)-heptan-3-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[(1S)-1-ethylpentyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[(3S)-heptan-3-yl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-[(3S)-heptan-3-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[(1S)-1-ethylpentyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)N

Isomeric SMILES

CCCC[C@H](CC)N1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)OCC)N

InChI

InChI=1S/C20H26N4O2/c1-4-7-10-13(5-2)24-18(21)16(20(25)26-6-3)17-19(24)23-15-12-9-8-11-14(15)22-17/h8-9,11-13H,4-7,10,21H2,1-3H3/t13-/m0/s1