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

Systemtic Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-4H-isoquinoline-1,3-quinone Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O2/c23-17-9-14-3-1-2-4-16(14)18(24)22(17)15-7-5-13(6-8-15)10-21-12-19-11-20-21/h1-8,11-12H,9-10H2