ethyl 3-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4CCCCC4

InChI

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