[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

Systemtic Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone Openeye Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone CAS Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone IUPAC Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone Traditional Name: [(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C18H22N4O/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/h5-8,12-14,16H,1-4,9-11H2/t14-,16-/m1/s1