2-[2-methyl-3-oxidanylidene-7-(2-phenylpyrrol-2-yl)-1-piperidin-4-yl-isoindol-1-yl]ethanal

Systemtic Name: 2-[2-methyl-3-oxidanylidene-7-(2-phenylpyrrol-2-yl)-1-piperidin-4-yl-isoindol-1-yl]ethanal Openeye Name: 2-[2-methyl-3-oxo-7-(2-phenylpyrrol-2-yl)-1-(4-piperidyl)isoindolin-1-yl]acetaldehyde CAS Name: 2-[2-methyl-3-oxo-7-(2-phenyl-2-pyrrolyl)-1-(4-piperidinyl)-1-isoindolyl]acetaldehyde IUPAC Name: 2-[2-methyl-3-oxo-7-(2-phenylpyrrol-2-yl)-1-piperidin-4-ylisoindol-1-yl]acetaldehyde Traditional Name: 2-[3-keto-2-methyl-7-(2-phenylpyrrol-2-yl)-1-(4-piperidyl)isoindolin-1-yl]acetaldehyde Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1(CC=O)C3CCNCC3)C(=CC=C2)C4(C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(C1(CC=O)C3CCNCC3)C(=CC=C2)C4(C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2/c1-29-24(31)21-9-5-10-22(25(13-6-15-28-25)19-7-3-2-4-8-19)23(21)26(29,14-18-30)20-11-16-27-17-12-20/h2-10,13,15,18,20,27H,11-12,14,16-17H2,1H3