2-(2-cyanophenoxy)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]propanamide

Systemtic Name: 2-(2-cyanophenoxy)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]propanamide Openeye Name: 2-(2-cyanophenoxy)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide CAS Name: 2-(2-cyanophenoxy)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]propanamide IUPAC Name: 2-(2-cyanophenoxy)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide Traditional Name: 2-(2-cyanophenoxy)-N-[4-(3-ketopiperazino)benzyl]propionamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)N2CCNC(=O)C2)OC3=CC=CC=C3C#N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)N2CCNC(=O)C2)OC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O3/c1-15(28-19-5-3-2-4-17(19)12-22)21(27)24-13-16-6-8-18(9-7-16)25-11-10-23-20(26)14-25/h2-9,15H,10-11,13-14H2,1H3,(H,23,26)(H,24,27)