4-(4-methylphenyl)-3-piperidin-1-ylcarbonyl-isochromen-1-one

Systemtic Name: 4-(4-methylphenyl)-3-piperidin-1-ylcarbonyl-isochromen-1-one Openeye Name: 3-(piperidine-1-carbonyl)-4-(p-tolyl)isochromen-1-one CAS Name: 4-(4-methylphenyl)-3-[oxo(1-piperidinyl)methyl]-2-benzopyran-1-one IUPAC Name: 4-(4-methylphenyl)-3-(piperidine-1-carbonyl)isochromen-1-one Traditional Name: 3-(piperidine-1-carbonyl)-4-(p-tolyl)isocoumarin Formula: C22H21NO3 MolecularWeight: 347.40704

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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)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C22H21NO3/c1-15-9-11-16(12-10-15)19-17-7-3-4-8-18(17)22(25)26-20(19)21(24)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3