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

Systemtic Name: 2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 2-tert-butyl-3-(1-methyl-2-phenyl-3-indolyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-tert-butyl-3-(1-methyl-2-phenylindol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C27H30N2O MolecularWeight: 398.5399

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O/c1-27(2,3)29-25(19-14-8-9-15-20(19)26(29)30)23-21-16-10-11-17-22(21)28(4)24(23)18-12-6-5-7-13-18/h5-7,10-13,16-17,25H,8-9,14-15H2,1-4H3