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

Systemtic Name: ethyl 3-[4-[2-(4-fluorophenyl)ethanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[2-(4-fluorophenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C24H25FN4O3 MolecularWeight: 436.478703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O3/c1-2-32-24(31)22-23(27-20-7-4-3-6-19(20)26-22)29-13-5-12-28(14-15-29)21(30)16-17-8-10-18(25)11-9-17/h3-4,6-11H,2,5,12-16H2,1H3