2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]isoindole-5-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]isoindole-5-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-1,3-dioxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]isoindoline-5-carboxamide CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-5-isoindolecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-1,3-dioxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-p-phenetyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]isoindoline-5-carboxamide Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C28H24N4O4/c1-2-36-23-11-9-22(10-12-23)32-27(34)24-13-6-20(18-25(24)28(32)35)26(33)29-16-14-19-4-7-21(8-5-19)31-17-3-15-30-31/h3-13,15,17-18H,2,14,16H2,1H3,(H,29,33)