4-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]methyl]-6-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]methyl]-6-methoxy-chromen-2-one Openeye Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-6-methoxy-chromen-2-one CAS Name: 4-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-6-methoxychromen-2-one Traditional Name: 4-[[4-(2-chlorobenzoyl)piperazino]methyl]-6-methoxy-coumarin Formula: C22H21ClN2O4 MolecularWeight: 412.86614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN2O4/c1-28-16-6-7-20-18(13-16)15(12-21(26)29-20)14-24-8-10-25(11-9-24)22(27)17-4-2-3-5-19(17)23/h2-7,12-13H,8-11,14H2,1H3