ethyl 3-[4-(2-acetyloxy-2-methyl-propanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(2-acetyloxy-2-methyl-propanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(2-acetoxy-2-methyl-propanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-(2-acetyloxy-2-methyl-1-oxopropyl)-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-acetyloxy-2-methylpropanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(2-acetoxy-2-methyl-propanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5/c1-5-30-20(28)18-19(24-17-10-7-6-9-16(17)23-18)25-11-8-12-26(14-13-25)21(29)22(3,4)31-15(2)27/h6-7,9-10H,5,8,11-14H2,1-4H3