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

Systemtic Name: ethyl 3-[4-(2-phenylmethoxyethanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2-benzyloxyacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(1-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-phenylmethoxyacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(2-benzoxyacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)COCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4/c1-2-33-25(31)23-24(27-21-12-7-6-11-20(21)26-23)29-14-8-13-28(15-16-29)22(30)18-32-17-19-9-4-3-5-10-19/h3-7,9-12H,2,8,13-18H2,1H3