3-[[2-(4-phenylpiperazin-1-yl)carbonylphenyl]methyl]isochromen-1-one

Systemtic Name: 3-[[2-(4-phenylpiperazin-1-yl)carbonylphenyl]methyl]isochromen-1-one Openeye Name: 3-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]isochromen-1-one CAS Name: 3-[[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-2-benzopyran-1-one IUPAC Name: 3-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]isochromen-1-one Traditional Name: 3-[2-(4-phenylpiperazine-1-carbonyl)benzyl]isocoumarin Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3CC4=CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3CC4=CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H24N2O3/c30-26(29-16-14-28(15-17-29)22-10-2-1-3-11-22)24-12-6-4-8-20(24)18-23-19-21-9-5-7-13-25(21)27(31)32-23/h1-13,19H,14-18H2