N-(3-ethynylphenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(3-ethynylphenyl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(3-ethynylphenyl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(3-ethynylphenyl)-1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C23H15N3O3 MolecularWeight: 381.3835

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C23H15N3O3/c1-2-15-5-3-7-18(11-15)25-21(27)17-8-9-19-20(12-17)23(29)26(22(19)28)14-16-6-4-10-24-13-16/h1,3-13H,14H2,(H,25,27)