N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-(3,4,5-trimethoxyphenyl)propanamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-(3,4,5-trimethoxyphenyl)propionamide Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C21H26N4O5/c1-28-16-10-14(11-17(29-2)21(16)30-3)4-7-19(26)24-15-5-6-18(23-12-15)25-9-8-22-20(27)13-25/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,27)(H,24,26)