5,6-dimethyl-2-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethyl-2-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethyl-2-[2-[1-[3-(4-pyridyl)propyl]-2-piperidyl]ethyl]isoindolin-1-one CAS Name: 5,6-dimethyl-2-[2-[1-(3-pyridin-4-ylpropyl)-2-piperidinyl]ethyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethyl-2-[2-[1-(3-pyridin-4-ylpropyl)piperidin-2-yl]ethyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethyl-2-[2-[1-[3-(4-pyridyl)propyl]-2-piperidyl]ethyl]isoindolin-1-one Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCC3CCCCN3CCCC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCC3CCCCN3CCCC4=CC=NC=C4)C

InChI

InChI=1S/C25H33N3O/c1-19-16-22-18-28(25(29)24(22)17-20(19)2)15-10-23-7-3-4-13-27(23)14-5-6-21-8-11-26-12-9-21/h8-9,11-12,16-17,23H,3-7,10,13-15,18H2,1-2H3