ethyl 6-[[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[4-[2-(2-chloroanilino)-2-oxo-ethyl]-1,4-diazepane-1-carbonyl]amino]hexanoate CAS Name: 6-[[[4-[2-(2-chloroanilino)-2-oxoethyl]-1,4-diazepan-1-yl]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-[2-(2-chloroanilino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]amino]hexanoate Traditional Name: 6-[[4-[2-(2-chloroanilino)-2-keto-ethyl]-1,4-diazepane-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C22H33ClN4O4 MolecularWeight: 452.97482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C22H33ClN4O4/c1-2-31-21(29)11-4-3-7-12-24-22(30)27-14-8-13-26(15-16-27)17-20(28)25-19-10-6-5-9-18(19)23/h5-6,9-10H,2-4,7-8,11-17H2,1H3,(H,24,30)(H,25,28)