(3S)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one

Systemtic Name: (3S)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Openeye Name: (3S)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-isopentyl-isoindolin-1-one CAS Name: (3S)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one IUPAC Name: (3S)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Traditional Name: (3S)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-isoamyl-isoindolin-1-one Formula: C27H25ClN2O MolecularWeight: 428.9532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)CCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN2O/c1-17(2)15-16-30-26(20-7-3-4-8-21(20)27(30)31)24-22-9-5-6-10-23(22)29-25(24)18-11-13-19(28)14-12-18/h3-14,17,26,29H,15-16H2,1-2H3/t26-/m0/s1