3-(4-cyanophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide

Systemtic Name: 3-(4-cyanophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]propanamide Openeye Name: 3-(4-cyanophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide CAS Name: 3-(4-cyanophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]propanamide IUPAC Name: 3-(4-cyanophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]propanamide Traditional Name: 3-(4-cyanophenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]propionamide Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N5O2/c20-11-15-3-1-14(2-4-15)5-8-18(25)23-16-6-7-17(22-12-16)24-10-9-21-19(26)13-24/h1-4,6-7,12H,5,8-10,13H2,(H,21,26)(H,23,25)