2-[1-(1-adamantyl)ethyl]-3-(1-methylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: 2-[1-(1-adamantyl)ethyl]-3-(1-methylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 2-[1-(1-adamantyl)ethyl]-3-(1-methylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 2-[1-(1-adamantyl)ethyl]-3-(1-methyl-3-indolyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-[1-(1-adamantyl)ethyl]-3-(1-methylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 2-[1-(1-adamantyl)ethyl]-3-(1-methylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)N4C(C5=C(C4=O)CCCC5)C6=CN(C7=CC=CC=C76)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)N4C(C5=C(C4=O)CCCC5)C6=CN(C7=CC=CC=C76)C

InChI

InChI=1S/C29H36N2O/c1-18(29-14-19-11-20(15-29)13-21(12-19)16-29)31-27(23-8-3-4-9-24(23)28(31)32)25-17-30(2)26-10-6-5-7-22(25)26/h5-7,10,17-21,27H,3-4,8-9,11-16H2,1-2H3