2-[[3-[(1-phenylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

Systemtic Name: 2-[[3-[(1-phenylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[3-[(1-phenylpyrrol-2-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: 2-[[3-[(1-phenyl-2-pyrrolyl)methyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-[[3-[(1-phenylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[3-[(1-phenylpyrrol-2-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1CN2CC3=CC=CC=C3C2=O)CC4=CC=CN4C5=CC=CC=C5

Isomeric SMILES

C1CNCC(C1CN2CC3=CC=CC=C3C2=O)CC4=CC=CN4C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O/c29-25-24-11-5-4-7-20(24)18-27(25)17-19-12-13-26-16-21(19)15-23-10-6-14-28(23)22-8-2-1-3-9-22/h1-11,14,19,21,26H,12-13,15-18H2