2,4-dimethyl-3-(1-phenylpyrrol-2-yl)-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 2,4-dimethyl-3-(1-phenylpyrrol-2-yl)-3-piperidin-4-yl-isoindol-1-one Openeye Name: 2,4-dimethyl-3-(1-phenylpyrrol-2-yl)-3-(4-piperidyl)isoindolin-1-one CAS Name: 2,4-dimethyl-3-(1-phenyl-2-pyrrolyl)-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 2,4-dimethyl-3-(1-phenylpyrrol-2-yl)-3-piperidin-4-ylisoindol-1-one Traditional Name: 2,4-dimethyl-3-(1-phenylpyrrol-2-yl)-3-(4-piperidyl)isoindolin-1-one Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(N(C2=O)C)(C3CCNCC3)C4=CC=CN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1C(N(C2=O)C)(C3CCNCC3)C4=CC=CN4C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O/c1-18-8-6-11-21-23(18)25(27(2)24(21)29,19-13-15-26-16-14-19)22-12-7-17-28(22)20-9-4-3-5-10-20/h3-12,17,19,26H,13-16H2,1-2H3