2-[4-[2-(3-chloranyl-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(3-chloranyl-4-oxidanyl-phenyl)ethanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(3-chloro-4-hydroxy-phenyl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(3-chloro-4-hydroxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(3-chloro-4-hydroxyphenyl)acetyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(3-chloro-4-hydroxy-phenyl)acetyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)O)Cl)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC(=C(C=C2)O)Cl)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3/c22-18-13-16(7-8-19(18)26)14-21(28)25-10-4-9-24(11-12-25)15-20(27)23-17-5-2-1-3-6-17/h1-3,5-8,13,26H,4,9-12,14-15H2,(H,23,27)