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

Systemtic Name: 2-[[1-[[2-(phenylmethyl)pyrrol-2-yl]methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-[(2-benzylpyrrol-2-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: 2-[[1-[[2-(phenylmethyl)-2-pyrrolyl]methyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-[[1-[(2-benzylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-[(2-benzylpyrrol-2-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4(C=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC4(C=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O/c30-25-24-10-5-4-9-23(24)19-29(25)18-22-11-15-28(16-12-22)20-26(13-6-14-27-26)17-21-7-2-1-3-8-21/h1-10,13-14,22H,11-12,15-20H2