methyl (2Z)-2-[[5-pyridin-2-yl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]butanoate

Systemtic Name: methyl (2Z)-2-[[5-pyridin-2-yl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]butanoate Openeye Name: methyl (2Z)-2-[[5-(2-pyridyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]butanoate CAS Name: (2Z)-2-[[5-(2-pyridinyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]butanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[[5-pyridin-2-yl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]butanoate Traditional Name: (2Z)-2-[[5-(2-pyridyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]butyric acid methyl ester Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CC/C(=N/NC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3=CC=CC=N3)/C(=O)OC

InChI

InChI=1S/C20H18F3N5O2/c1-3-14(19(29)30-2)27-28-17-11-25-18(16-6-4-5-9-24-16)13-10-12(20(21,22)23)7-8-15(13)26-17/h4-10H,3,11H2,1-2H3,(H,26,28)/b27-14-