2-(4-ethoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-p-phenetyl-4-[(1H-1,2,4-triazol-5-ylamino)methylene]isoquinoline-1,3-quinone Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=NN4)C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=NN4)C2=O

InChI

InChI=1S/C20H17N5O3/c1-2-28-14-9-7-13(8-10-14)25-18(26)16-6-4-3-5-15(16)17(19(25)27)11-21-20-22-12-23-24-20/h3-12H,2H2,1H3,(H2,21,22,23,24)