6-chloranyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2H-chromene-3-carboxamide Openeye Name: 6-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2H-chromene-3-carboxamide CAS Name: 6-chloro-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: 6-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2H-chromene-3-carboxamide Traditional Name: 6-chloro-N-[4-(3-ketopiperazino)benzyl]-2H-chromene-3-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H20ClN3O3/c22-17-3-6-19-15(10-17)9-16(13-28-19)21(27)24-11-14-1-4-18(5-2-14)25-8-7-23-20(26)12-25/h1-6,9-10H,7-8,11-13H2,(H,23,26)(H,24,27)