3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one

Systemtic Name: 3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one Openeye Name: 3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-4-(p-tolyl)isochromen-1-one CAS Name: 3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-4-(4-methylphenyl)-2-benzopyran-1-one IUPAC Name: 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)isochromen-1-one Traditional Name: 3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-4-(p-tolyl)isocoumarin Formula: C29H28N2O3 MolecularWeight: 452.54422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=C(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H28N2O3/c1-19-11-13-22(14-12-19)26-24-9-4-5-10-25(24)29(33)34-27(26)28(32)30-15-16-31(21(3)18-30)23-8-6-7-20(2)17-23/h4-14,17,21H,15-16,18H2,1-3H3