4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylisochromen-1-one

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylisochromen-1-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]isochromen-1-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-benzopyran-1-one IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]isochromen-1-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]isocoumarin Formula: C21H19ClN2O3 MolecularWeight: 382.84016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=COC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=COC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19ClN2O3/c1-14-6-7-15(22)12-19(14)23-8-10-24(11-9-23)20(25)18-13-27-21(26)17-5-3-2-4-16(17)18/h2-7,12-13H,8-11H2,1H3