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

Systemtic Name: 2-ethylhexyl 4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 4-[2-(2-chloroanilino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-[2-(2-chloroanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(2-chloroanilino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid 2-ethylhexyl ester Formula: C22H34ClN3O3 MolecularWeight: 423.97666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C22H34ClN3O3/c1-3-5-9-18(4-2)17-29-22(28)26-13-8-12-25(14-15-26)16-21(27)24-20-11-7-6-10-19(20)23/h6-7,10-11,18H,3-5,8-9,12-17H2,1-2H3,(H,24,27)