7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-(pyridin-3-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-(pyridin-3-ylmethyl)-3H-isoindol-1-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(3-pyridylmethyl)isoindolin-1-one CAS Name: 7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-(3-pyridinylmethyl)-3H-isoindol-1-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-3H-isoindol-1-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-2-(3-pyridylmethyl)isoindolin-1-one Formula: C26H26N4O2 MolecularWeight: 426.51024

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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=CN=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C26H26N4O2/c31-25(29-14-12-28(13-15-29)17-20-6-2-1-3-7-20)23-10-4-9-22-19-30(26(32)24(22)23)18-21-8-5-11-27-16-21/h1-11,16H,12-15,17-19H2