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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(1,2,4-triazol-1-yl)phenyl]methanone Formula: C18H16N4O MolecularWeight: 304.34584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C18H16N4O/c23-18(21-10-9-14-3-1-2-4-16(14)11-21)15-5-7-17(8-6-15)22-13-19-12-20-22/h1-8,12-13H,9-11H2