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

Systemtic Name: 2-(4-ethoxyphenyl)-1,3-bis(oxidanylidene)-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-1,3-dioxo-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide CAS Name: 2-(4-ethoxyphenyl)-1,3-dioxo-N-[3-(1-pyrazolylmethyl)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-1,3-dioxo-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-p-phenetyl-N-[3-(pyrazol-1-ylmethyl)phenyl]isoindoline-5-carboxamide Formula: C27H22N4O4 MolecularWeight: 466.48798

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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)NC4=CC=CC(=C4)CN5C=CC=N5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

InChI

InChI=1S/C27H22N4O4/c1-2-35-22-10-8-21(9-11-22)31-26(33)23-12-7-19(16-24(23)27(31)34)25(32)29-20-6-3-5-18(15-20)17-30-14-4-13-28-30/h3-16H,2,17H2,1H3,(H,29,32)