2-(5-phenethyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(5-phenethyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2/c23-16-13-8-4-5-9-14(13)17(24)22(16)18-19-15(20-21-18)11-10-12-6-2-1-3-7-12/h1-7,13-14H,8-11H2,(H,19,20,21)