(3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: (3S)-2-[2-keto-2-(4-phenylpiperazino)ethyl]-3-(2-methyl-1H-indol-3-yl)isoindolin-1-one Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H]3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N4O2/c1-20-27(24-13-7-8-14-25(24)30-20)28-22-11-5-6-12-23(22)29(35)33(28)19-26(34)32-17-15-31(16-18-32)21-9-3-2-4-10-21/h2-14,28,30H,15-19H2,1H3/t28-/m0/s1