2-(3-methylbutyl)-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: 2-(3-methylbutyl)-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 2-isopentyl-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 2-(3-methylbutyl)-3-(1-methyl-2-phenyl-3-indolyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-(3-methylbutyl)-3-(1-methyl-2-phenylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 2-isoamyl-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C28H32N2O MolecularWeight: 412.56648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCN1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C28H32N2O/c1-19(2)17-18-30-27(21-13-7-8-14-22(21)28(30)31)25-23-15-9-10-16-24(23)29(3)26(25)20-11-5-4-6-12-20/h4-6,9-12,15-16,19,27H,7-8,13-14,17-18H2,1-3H3