(4E)-2-(3,4-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-hydroxyethylamino)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-hydroxyethylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-2-(3,4-dimethylphenyl)-4-[(2-hydroxyethylamino)methylene]isoquinoline-1,3-quinone Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNCCO)C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NCCO)/C2=O)C

InChI

InChI=1S/C20H20N2O3/c1-13-7-8-15(11-14(13)2)22-19(24)17-6-4-3-5-16(17)18(20(22)25)12-21-9-10-23/h3-8,11-12,21,23H,9-10H2,1-2H3/b18-12+