3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-4-(p-tolyl)isochromen-1-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-4-(4-methylphenyl)-2-benzopyran-1-one IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-(4-methylphenyl)isochromen-1-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-4-(p-tolyl)isocoumarin Formula: C28H25ClN2O3 MolecularWeight: 472.9627

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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=C(C=CC(=C5)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN2O3/c1-18-7-10-20(11-8-18)25-22-5-3-4-6-23(22)28(33)34-26(25)27(32)31-15-13-30(14-16-31)24-17-21(29)12-9-19(24)2/h3-12,17H,13-16H2,1-2H3