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

Systemtic Name: 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-3-methyl-4H-isochromen-1-one Openeye Name: 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-3-methyl-isochroman-1-one CAS Name: 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one Traditional Name: 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-3-methyl-isochroman-1-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3(CC4=CC=CC=C4C(=O)O3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3(CC4=CC=CC=C4C(=O)O3)C)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-15-7-8-17(13-19(15)23)24-9-11-25(12-10-24)21(27)22(2)14-16-5-3-4-6-18(16)20(26)28-22/h3-8,13H,9-12,14H2,1-2H3