7-[[4-[3-chloranyl-4-(hydroxymethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-[[4-[3-chloranyl-4-(hydroxymethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-[[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-[[4-[3-chloro-4-(hydroxymethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-[[4-[3-chloro-4-(hydroxymethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-[[4-(3-chloro-4-methylol-phenyl)piperazino]methyl]coumarin Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC(=C(C=C4)CO)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC(=C(C=C4)CO)Cl

InChI

InChI=1S/C21H21ClN2O3/c22-19-12-18(5-3-17(19)14-25)24-9-7-23(8-10-24)13-15-1-2-16-4-6-21(26)27-20(16)11-15/h1-6,11-12,25H,7-10,13-14H2