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

Systemtic Name: 3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-phenyl-isochromen-1-one Openeye Name: 3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-4-phenyl-isochromen-1-one CAS Name: 3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-4-phenylisochromen-1-one Traditional Name: 3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-4-phenyl-isocoumarin Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O3/c1-19-9-8-12-22(17-19)30-16-15-29(18-20(30)2)27(31)26-25(21-10-4-3-5-11-21)23-13-6-7-14-24(23)28(32)33-26/h3-14,17,20H,15-16,18H2,1-2H3