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

Systemtic Name: 3-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]isochromen-1-one Openeye Name: 3-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isochromen-1-one CAS Name: 3-[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2-benzopyran-1-one IUPAC Name: 3-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isochromen-1-one Traditional Name: 3-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isocoumarin Formula: C26H22N2O3 MolecularWeight: 410.46448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C26H22N2O3/c29-25(28-16-14-27(15-17-28)20-9-2-1-3-10-20)23-13-7-6-12-22(23)24-18-19-8-4-5-11-21(19)26(30)31-24/h1-13,18H,14-17H2