6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-7-methoxy-chromen-2-one

Systemtic Name: 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-7-methoxy-chromen-2-one Openeye Name: 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]-7-methoxy-chromen-2-one CAS Name: 6-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropoxy]-7-methoxy-1-benzopyran-2-one IUPAC Name: 6-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-7-methoxychromen-2-one Traditional Name: 6-[3-[4-(3-chlorophenyl)piperazino]-2-hydroxy-propoxy]-7-methoxy-coumarin Formula: C23H25ClN2O5 MolecularWeight: 444.908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC(=O)OC2=C1)OCC(CN3CCN(CC3)C4=CC(=CC=C4)Cl)O

Isomeric SMILES

COC1=C(C=C2C=CC(=O)OC2=C1)OCC(CN3CCN(CC3)C4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C23H25ClN2O5/c1-29-21-13-20-16(5-6-23(28)31-20)11-22(21)30-15-19(27)14-25-7-9-26(10-8-25)18-4-2-3-17(24)12-18/h2-6,11-13,19,27H,7-10,14-15H2,1H3