3-(1-methylindol-3-yl)-2-(3-methyl-1-oxidanylidene-1-piperidin-1-yl-pentan-2-yl)-3H-isoindol-1-one

Systemtic Name: 3-(1-methylindol-3-yl)-2-(3-methyl-1-oxidanylidene-1-piperidin-1-yl-pentan-2-yl)-3H-isoindol-1-one Openeye Name: 3-(1-methylindol-3-yl)-2-[2-methyl-1-(piperidine-1-carbonyl)butyl]isoindolin-1-one CAS Name: 3-(1-methyl-3-indolyl)-2-[3-methyl-1-oxo-1-(1-piperidinyl)pentan-2-yl]-3H-isoindol-1-one IUPAC Name: 3-(1-methylindol-3-yl)-2-(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)-3H-isoindol-1-one Traditional Name: 3-(1-methylindol-3-yl)-2-[2-methyl-1-(piperidine-1-carbonyl)butyl]isoindolin-1-one Formula: C28H33N3O2 MolecularWeight: 443.58052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCC1)N2C(C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCCCC1)N2C(C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C28H33N3O2/c1-4-19(2)25(28(33)30-16-10-5-11-17-30)31-26(21-13-6-7-14-22(21)27(31)32)23-18-29(3)24-15-9-8-12-20(23)24/h6-9,12-15,18-19,25-26H,4-5,10-11,16-17H2,1-3H3