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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)CN4C=NC=N4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)CN4C=NC=N4

InChI

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