3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

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