N-tert-butyl-2-[4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methyl-phenoxy)acetyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methylphenoxy)acetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-chloro-2-methyl-phenoxy)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C20H30ClN3O3 MolecularWeight: 395.9235

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H30ClN3O3/c1-15-12-16(21)6-7-17(15)27-14-19(26)24-9-5-8-23(10-11-24)13-18(25)22-20(2,3)4/h6-7,12H,5,8-11,13-14H2,1-4H3,(H,22,25)