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

Systemtic Name: ethyl 3-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C21H27N5O4/c1-2-30-20(27)18-19(23-17-7-4-3-6-16(17)22-18)24-8-5-9-25(11-10-24)21(28)26-12-14-29-15-13-26/h3-4,6-7H,2,5,8-15H2,1H3