3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylisochromen-1-one

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylisochromen-1-one Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]isochromen-1-one CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-benzopyran-1-one IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]isochromen-1-one Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]isocoumarin Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-15-6-5-9-19(16(15)2)23-10-12-24(13-11-23)21(25)20-14-17-7-3-4-8-18(17)22(26)27-20/h3-9,14H,10-13H2,1-2H3