5,6-dimethyl-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethyl-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethyl-2-[3-[methyl-[3-(4-pyridyl)propyl]amino]propyl]isoindolin-1-one CAS Name: 5,6-dimethyl-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethyl-2-[3-[methyl(3-pyridin-4-ylpropyl)amino]propyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethyl-2-[3-[methyl-[3-(4-pyridyl)propyl]amino]propyl]isoindolin-1-one Formula: C22H29N3O MolecularWeight: 351.48516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCCC3=CC=NC=C3)C

InChI

InChI=1S/C22H29N3O/c1-17-14-20-16-25(22(26)21(20)15-18(17)2)13-5-12-24(3)11-4-6-19-7-9-23-10-8-19/h7-10,14-15H,4-6,11-13,16H2,1-3H3