7-(4-phenylpiperazin-1-yl)carbonyl-2-(pyridin-4-ylmethyl)-3H-isoindol-1-one

Systemtic Name: 7-(4-phenylpiperazin-1-yl)carbonyl-2-(pyridin-4-ylmethyl)-3H-isoindol-1-one Openeye Name: 7-(4-phenylpiperazine-1-carbonyl)-2-(4-pyridylmethyl)isoindolin-1-one CAS Name: 7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-(pyridin-4-ylmethyl)-3H-isoindol-1-one IUPAC Name: 7-(4-phenylpiperazine-1-carbonyl)-2-(pyridin-4-ylmethyl)-3H-isoindol-1-one Traditional Name: 7-(4-phenylpiperazine-1-carbonyl)-2-(4-pyridylmethyl)isoindolin-1-one Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CC=NC=C5

InChI

InChI=1S/C25H24N4O2/c30-24(28-15-13-27(14-16-28)21-6-2-1-3-7-21)22-8-4-5-20-18-29(25(31)23(20)22)17-19-9-11-26-12-10-19/h1-12H,13-18H2