benzotriazol-1-yl 3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-6-carboxylate

Systemtic Name: benzotriazol-1-yl 3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-6-carboxylate Openeye Name: benzotriazol-1-yl 3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-6-carboxylate CAS Name: 3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-6-indolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-6-carboxylate Traditional Name: 3-methyl-1-[4-(trifluoromethyl)benzyl]indole-6-carboxylic acid benzotriazol-1-yl ester Formula: C24H17F3N4O2 MolecularWeight: 450.41259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(=O)ON3C4=CC=CC=C4N=N3)CC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(=O)ON3C4=CC=CC=C4N=N3)CC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C24H17F3N4O2/c1-15-13-30(14-16-6-9-18(10-7-16)24(25,26)27)22-12-17(8-11-19(15)22)23(32)33-31-21-5-3-2-4-20(21)28-29-31/h2-13H,14H2,1H3