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

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-29-19-12-17(13-20(30-2)23(19)31-3)6-9-21(27)25-14-16-4-7-18(8-5-16)26-11-10-24-22(28)15-26/h4-5,7-8,12-13H,6,9-11,14-15H2,1-3H3,(H,24,28)(H,25,27)