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

Systemtic Name: 4-(4-methylphenyl)-3-(2-pyridin-3-ylpiperidin-1-yl)carbonyl-isochromen-1-one Openeye Name: 4-(p-tolyl)-3-[2-(3-pyridyl)piperidine-1-carbonyl]isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[oxo-[2-(3-pyridinyl)-1-piperidinyl]methyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(2-pyridin-3-ylpiperidine-1-carbonyl)isochromen-1-one Traditional Name: 4-(p-tolyl)-3-[2-(3-pyridyl)piperidine-1-carbonyl]isocoumarin Formula: C27H24N2O3 MolecularWeight: 424.49106

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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)N4CCCCC4C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCCCC4C5=CN=CC=C5

InChI

InChI=1S/C27H24N2O3/c1-18-11-13-19(14-12-18)24-21-8-2-3-9-22(21)27(31)32-25(24)26(30)29-16-5-4-10-23(29)20-7-6-15-28-17-20/h2-3,6-9,11-15,17,23H,4-5,10,16H2,1H3