2-[3-[(4-chlorophenyl)methyl]-5-oxidanylidene-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]-5-oxidanylidene-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(4-chlorobenzyl)-5-keto-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H15ClN4O3/c18-11-7-5-10(6-8-11)9-14-19-20-17(25)21(14)22-15(23)12-3-1-2-4-13(12)16(22)24/h1-2,5-8,12-13H,3-4,9H2,(H,20,25)