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

Systemtic Name: 3-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one Openeye Name: 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-(p-tolyl)isochromen-1-one CAS Name: 3-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-4-(4-methylphenyl)-2-benzopyran-1-one IUPAC Name: 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)isochromen-1-one Traditional Name: 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-(p-tolyl)isocoumarin Formula: C29H26N2O4 MolecularWeight: 466.52774

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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=C(C=C5)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O4/c1-19-7-9-22(10-8-19)26-24-5-3-4-6-25(24)29(34)35-27(26)28(33)31-17-15-30(16-18-31)23-13-11-21(12-14-23)20(2)32/h3-14H,15-18H2,1-2H3