1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-(2-phthalimidoethyl)isoquinoline-1-carbonitrile Formula: C27H19N3O3 MolecularWeight: 433.45806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CCN4C(=O)C5=CC=CC=C5C4=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CCN4C(=O)C5=CC=CC=C5C4=O)C#N

InChI

InChI=1S/C27H19N3O3/c28-18-27(15-17-29-25(32)21-11-5-6-12-22(21)26(29)33)23-13-7-4-8-19(23)14-16-30(27)24(31)20-9-2-1-3-10-20/h1-14,16H,15,17H2