2-acetamido-3-(1H-indol-3-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 2-acetamido-3-(1H-indol-3-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 2-acetamido-3-(1H-indol-3-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 2-acetamido-3-(1H-indol-3-yl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 2-acetamido-3-(1H-indol-3-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: 2-acetamido-3-(1H-indol-3-yl)-N-[6-(3-ketopiperazino)-3-pyridyl]propionamide Formula: C22H24N6O3 MolecularWeight: 420.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H24N6O3/c1-14(29)26-19(10-15-11-24-18-5-3-2-4-17(15)18)22(31)27-16-6-7-20(25-12-16)28-9-8-23-21(30)13-28/h2-7,11-12,19,24H,8-10,13H2,1H3,(H,23,30)(H,26,29)(H,27,31)