N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C22H27N3O5/c1-28-18-10-16(11-19(29-2)22(18)30-3)12-20(26)24-13-15-4-6-17(7-5-15)25-9-8-23-21(27)14-25/h4-7,10-11H,8-9,12-14H2,1-3H3,(H,23,27)(H,24,26)