2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3H-isoindol-1-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3H-isoindol-1-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-2-[(2-chloro-6-fluoro-phenyl)methyl]isoindolin-1-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl]-7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3H-isoindol-1-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-2-[(2-chloro-6-fluorophenyl)methyl]-3H-isoindol-1-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(2-chloro-6-fluoro-benzyl)isoindolin-1-one Formula: C27H25ClFN3O2 MolecularWeight: 477.957703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H25ClFN3O2/c28-23-10-5-11-24(29)22(23)18-32-17-20-8-4-9-21(25(20)27(32)34)26(33)31-14-12-30(13-15-31)16-19-6-2-1-3-7-19/h1-11H,12-18H2