N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H26F3N3O3 MolecularWeight: 509.51955

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26F3N3O3/c29-28(30,31)22-10-11-24(33-12-14-37-15-13-33)23(17-22)32-26(35)25-16-20-8-4-5-9-21(20)18-34(25)27(36)19-6-2-1-3-7-19/h1-11,17,25H,12-16,18H2,(H,32,35)