ethyl 3-[4-(2-phenoxyethanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(2-phenoxyethanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(1-oxo-2-phenoxyethyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-2-31-24(30)22-23(26-20-12-7-6-11-19(20)25-22)28-14-8-13-27(15-16-28)21(29)17-32-18-9-4-3-5-10-18/h3-7,9-12H,2,8,13-17H2,1H3