3-(2-chlorophenyl)-7-oxidanyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-4-one

Systemtic Name: 3-(2-chlorophenyl)-7-oxidanyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-4-one Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(2-chlorophenyl)-7-hydroxy-chromen-4-one CAS Name: 3-(2-chlorophenyl)-7-hydroxy-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-4-one IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one Traditional Name: 8-[(4-benzylpiperazino)methyl]-3-(2-chlorophenyl)-7-hydroxy-chromone Formula: C27H25ClN2O3 MolecularWeight: 460.952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5Cl)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5Cl)O

InChI

InChI=1S/C27H25ClN2O3/c28-24-9-5-4-8-20(24)23-18-33-27-21(26(23)32)10-11-25(31)22(27)17-30-14-12-29(13-15-30)16-19-6-2-1-3-7-19/h1-11,18,31H,12-17H2