2-ethylhexyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[2-(4-fluoroanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[2-(4-fluoroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C22H34FN3O3 MolecularWeight: 407.522063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C22H34FN3O3/c1-3-5-7-18(4-2)17-29-22(28)26-13-6-12-25(14-15-26)16-21(27)24-20-10-8-19(23)9-11-20/h8-11,18H,3-7,12-17H2,1-2H3,(H,24,27)