N-(7-iodanyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-methoxy-5-[1-(trifluoromethyl)-1,2-diazirin-3-yl]benzamide

Systemtic Name: N-(7-iodanyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-methoxy-5-[1-(trifluoromethyl)-1,2-diazirin-3-yl]benzamide Openeye Name: N-(7-iodo-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-methoxy-5-[1-(trifluoromethyl)diazirin-3-yl]benzamide CAS Name: N-(7-iodo-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-methoxy-5-[1-(trifluoromethyl)-3-diazirinyl]benzamide IUPAC Name: N-(7-iodo-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-methoxy-5-[1-(trifluoromethyl)diazirin-3-yl]benzamide Traditional Name: N-(7-iodo-1,2,3,4-tetrahydroisoquinolin-5-yl)-2-methoxy-5-[1-(trifluoromethyl)diazirin-3-yl]benzamide Formula: C19H16F3IN4O2 MolecularWeight: 516.25562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN2C(F)(F)F)C(=O)NC3=C4CCNCC4=CC(=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN2C(F)(F)F)C(=O)NC3=C4CCNCC4=CC(=C3)I

InChI

InChI=1S/C19H16F3IN4O2/c1-29-16-3-2-10(17-26-27(17)19(20,21)22)7-14(16)18(28)25-15-8-12(23)6-11-9-24-5-4-13(11)15/h2-3,6-8,24H,4-5,9H2,1H3,(H,25,28)