5,6-dimethyl-2-[4-(3-pyridin-4-ylpropylamino)butan-2-yl]-3H-isoindol-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)C(C)CCNCCCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)C(C)CCNCCCC3=CC=NC=C3)C

InChI

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