N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C18H14ClF3N2O3 MolecularWeight: 398.76357

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C18H14ClF3N2O3/c19-13-5-6-14-15(9-13)27-18(26-14,17(20,21)22)23-16(25)24-8-7-11-3-1-2-4-12(11)10-24/h1-6,9H,7-8,10H2,(H,23,25)