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

Systemtic Name: 2-[[1-[2-oxidanylidene-2-[2-(phenylmethyl)pyrrol-2-yl]ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(2-benzylpyrrol-2-yl)-2-oxo-ethyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: 2-[[1-[2-oxo-2-[2-(phenylmethyl)-2-pyrrolyl]ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(2-benzylpyrrol-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 2-[[1-[2-(2-benzylpyrrol-2-yl)-2-keto-ethyl]-4-piperidyl]methyl]isoindolin-1-one Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4(C=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4(C=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-25(27(13-6-14-28-27)17-21-7-2-1-3-8-21)20-29-15-11-22(12-16-29)18-30-19-23-9-4-5-10-24(23)26(30)32/h1-10,13-14,22H,11-12,15-20H2