Target & Pathway Related Libraries

Cas#: 21715-46-8        Compound CID:  135413553

Formula:  C₁₇H₁₇ClN₂O        Molecular Weight: 300.78

IUPAC Name: 6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine

SMILES: CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3

InChIKey: IBYCYJFUEJQSMK-UHFFFAOYSA-N

InChI: InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)

Cas#: 622370-35-8        Compound CID:  9916461

Formula:  C₂₈H₁₆ClF₆N₅O        Molecular Weight: 587.903

IUPAC Name: [2-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-chlorophenyl)methanone

SMILES: C1=CC=C(C(=C1)C(=O)C2=C(N=CC=C2)C3=C(N(N=N3)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=NC=C5)Cl

InChIKey: CAVRKWRKTNINFF-UHFFFAOYSA-N

InChI: InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2