2-[4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-oxo-4-[4-[2-(p-tolyl)ethyl]-1-piperidyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[2-(4-methylphenyl)ethyl]-1-piperidinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-[2-(p-tolyl)ethyl]piperidino]butyl]isoindoline-1,3-quinone Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H30N2O3/c1-19-8-10-20(11-9-19)12-13-21-14-17-27(18-15-21)24(29)7-4-16-28-25(30)22-5-2-3-6-23(22)26(28)31/h2-3,5-6,8-11,21H,4,7,12-18H2,1H3