2-(4-ethoxyphenyl)-4-[(prop-2-ynylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-4-[(prop-2-ynylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-4-[(prop-2-ynylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-4-[(prop-2-ynylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-4-[(prop-2-ynylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-p-phenetyl-4-[(propargylamino)methylene]isoquinoline-1,3-quinone Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC#C)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCC#C)C2=O

InChI

InChI=1S/C21H18N2O3/c1-3-13-22-14-19-17-7-5-6-8-18(17)20(24)23(21(19)25)15-9-11-16(12-10-15)26-4-2/h1,5-12,14,22H,4,13H2,2H3