(3S)-2-(1-adamantyl)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-3H-isoindol-1-one

Systemtic Name: (3S)-2-(1-adamantyl)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-(1-adamantyl)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]isoindolin-1-one CAS Name: (3S)-2-(1-adamantyl)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-3H-isoindol-1-one IUPAC Name: (3S)-2-(1-adamantyl)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-(1-adamantyl)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]isoindolin-1-one Formula: C33H32N2O2 MolecularWeight: 488.61938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3N2)[C@@H]4C5=CC=CC=C5C(=O)N4C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C33H32N2O2/c1-37-24-8-6-7-23(16-24)30-29(27-11-4-5-12-28(27)34-30)31-25-9-2-3-10-26(25)32(36)35(31)33-17-20-13-21(18-33)15-22(14-20)19-33/h2-12,16,20-22,31,34H,13-15,17-19H2,1H3/t20?,21?,22?,31-,33?/m0/s1