2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)isoquinolin-1-one

Systemtic Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)isoquinolin-1-one Openeye Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)isoquinolin-1-one CAS Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)-1-isoquinolinone IUPAC Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)isoquinolin-1-one Traditional Name: 2-(4-chlorophenyl)-3-(1,2,4-triazol-1-yl)isocarbostyril Formula: C17H11ClN4O MolecularWeight: 322.74844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N(C2=O)C3=CC=C(C=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N(C2=O)C3=CC=C(C=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C17H11ClN4O/c18-13-5-7-14(8-6-13)22-16(21-11-19-10-20-21)9-12-3-1-2-4-15(12)17(22)23/h1-11H