phenyl-[1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: phenyl-[1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: phenyl-[1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: phenyl-[1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: phenyl-[1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: phenyl-[1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C19H18N4O MolecularWeight: 318.37242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CN3C=NC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CN3C=NC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O/c24-19(16-7-2-1-3-8-16)23-11-10-15-6-4-5-9-17(15)18(23)12-22-14-20-13-21-22/h1-9,13-14,18H,10-12H2