4-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isochromen-1-one

Systemtic Name: 4-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isochromen-1-one Openeye Name: 4-(p-tolyl)-3-[4-(2-pyridyl)piperazine-1-carbonyl]isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)isochromen-1-one Traditional Name: 4-(p-tolyl)-3-[4-(2-pyridyl)piperazine-1-carbonyl]isocoumarin Formula: C26H23N3O3 MolecularWeight: 425.47912

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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=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H23N3O3/c1-18-9-11-19(12-10-18)23-20-6-2-3-7-21(20)26(31)32-24(23)25(30)29-16-14-28(15-17-29)22-8-4-5-13-27-22/h2-13H,14-17H2,1H3