(E)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-isoindolin-2-ylphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(1,3-dihydroisoindol-2-yl)phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-isoindolin-2-ylphenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC=C(C=C3)N4CC5=CC=CC=C5C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(C=C3)N4CC5=CC=CC=C5C4)/C#N

InChI

InChI=1S/C28H26N4O/c29-19-25(28(33)31-16-14-30(15-17-31)26-8-2-1-3-9-26)18-22-10-12-27(13-11-22)32-20-23-6-4-5-7-24(23)21-32/h1-13,18H,14-17,20-21H2/b25-18+