2-(4-methylphenyl)-3-(3-phenylbut-3-enoyl)-3H-isoindol-1-one

Systemtic Name: 2-(4-methylphenyl)-3-(3-phenylbut-3-enoyl)-3H-isoindol-1-one Openeye Name: 3-(3-phenylbut-3-enoyl)-2-(p-tolyl)isoindolin-1-one CAS Name: 2-(4-methylphenyl)-3-(1-oxo-3-phenylbut-3-enyl)-3H-isoindol-1-one IUPAC Name: 2-(4-methylphenyl)-3-(3-phenylbut-3-enoyl)-3H-isoindol-1-one Traditional Name: 3-(3-phenylbut-3-enoyl)-2-(p-tolyl)isoindolin-1-one Formula: C25H21NO2 MolecularWeight: 367.43974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)CC(=C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C3=CC=CC=C3C2=O)C(=O)CC(=C)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO2/c1-17-12-14-20(15-13-17)26-24(21-10-6-7-11-22(21)25(26)28)23(27)16-18(2)19-8-4-3-5-9-19/h3-15,24H,2,16H2,1H3