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

Systemtic Name: ethyl 3-[4-(1-benzothiophen-2-ylcarbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[1-benzothiophen-2-yl(oxo)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O3S/c1-2-32-25(31)22-23(27-19-10-5-4-9-18(19)26-22)28-12-7-13-29(15-14-28)24(30)21-16-17-8-3-6-11-20(17)33-21/h3-6,8-11,16H,2,7,12-15H2,1H3