3-(1,2-dimethylindol-3-yl)-2-(2-ethylhexyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-(1,2-dimethylindol-3-yl)-2-(2-ethylhexyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 3-(1,2-dimethylindol-3-yl)-2-(2-ethylhexyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 3-(1,2-dimethyl-3-indolyl)-2-(2-ethylhexyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 3-(1,2-dimethylindol-3-yl)-2-(2-ethylhexyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 3-(1,2-dimethylindol-3-yl)-2-(2-ethylhexyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C26H36N2O MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C

Isomeric SMILES

CCCCC(CC)CN1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C

InChI

InChI=1S/C26H36N2O/c1-5-7-12-19(6-2)17-28-25(20-13-8-9-14-21(20)26(28)29)24-18(3)27(4)23-16-11-10-15-22(23)24/h10-11,15-16,19,25H,5-9,12-14,17H2,1-4H3