4a-ethyl-3-methyl-2-pyridin-2-yl-7-(1H-1,2,4-triazol-5-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3-methyl-2-pyridin-2-yl-7-(1H-1,2,4-triazol-5-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-3-methyl-2-(2-pyridyl)-7-(1H-1,2,4-triazol-5-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-3-methyl-2-(2-pyridinyl)-7-(1H-1,2,4-triazol-5-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-3-methyl-2-pyridin-2-yl-7-(1H-1,2,4-triazol-5-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-3-methyl-2-(2-pyridyl)-7-(1H-1,2,4-triazol-5-yl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)C4=NC=NN4)(C5=CC=CC=N5)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)C4=NC=NN4)(C5=CC=CC=N5)O)(C)O

InChI

InChI=1S/C24H28N4O2/c1-3-23-14-22(2,29)24(30,20-6-4-5-11-25-20)13-18(23)9-7-16-12-17(8-10-19(16)23)21-26-15-27-28-21/h4-6,8,10-12,15,18,29-30H,3,7,9,13-14H2,1-2H3,(H,26,27,28)