2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-4H-isoquinoline-1,3-quinone Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C19H16N4O2/c24-18-9-16-3-1-2-4-17(16)19(25)23(18)11-15-7-5-14(6-8-15)10-22-13-20-12-21-22/h1-8,12-13H,9-11H2