3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C21H19ClN2O4 MolecularWeight: 398.83956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-27-18-7-2-4-14-12-17(21(26)28-19(14)18)20(25)24-10-8-23(9-11-24)16-6-3-5-15(22)13-16/h2-7,12-13H,8-11H2,1H3