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

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

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4(C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4(C=CC=N4)C5=CC=CC=C5

InChI

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