3-(1,3-benzodioxol-5-yl)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(3-ketopiperazino)phenyl]propionamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H20ClN3O4/c21-15-10-14(3-4-16(15)24-8-7-22-20(26)11-24)23-19(25)6-2-13-1-5-17-18(9-13)28-12-27-17/h1,3-5,9-10H,2,6-8,11-12H2,(H,22,26)(H,23,25)