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

Systemtic Name: ethyl 3-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-methylbenzofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(3-methyl-2-benzofuranyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-methyl-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-methylbenzofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C26H26N4O4/c1-3-33-26(32)22-24(28-20-11-6-5-10-19(20)27-22)29-13-8-14-30(16-15-29)25(31)23-17(2)18-9-4-7-12-21(18)34-23/h4-7,9-12H,3,8,13-16H2,1-2H3