4-(3-methylphenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-(3-methylphenoxy)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]butanamide CAS Name: 4-(3-methylphenoxy)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]butanamide IUPAC Name: 4-(3-methylphenoxy)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]butanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-(3-methylphenoxy)butyramide Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C20H24N4O3/c1-15-4-2-5-17(12-15)27-11-3-6-19(25)23-16-7-8-18(22-13-16)24-10-9-21-20(26)14-24/h2,4-5,7-8,12-13H,3,6,9-11,14H2,1H3,(H,21,26)(H,23,25)