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

Systemtic Name: ethyl 3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(2-ethyl-1-oxobutyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)OCC

InChI

InChI=1S/C22H30N4O3/c1-4-16(5-2)21(27)26-13-9-12-25(14-15-26)20-19(22(28)29-6-3)23-17-10-7-8-11-18(17)24-20/h7-8,10-11,16H,4-6,9,12-15H2,1-3H3