N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide

Systemtic Name: N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide Openeye Name: N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide CAS Name: N-[3,3-bis(4-fluorophenyl)propyl]-3-isoquinolinecarboxamide IUPAC Name: N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide Traditional Name: N-[3,3-bis(4-fluorophenyl)propyl]isoquinoline-3-carboxamide Formula: C25H20F2N2O MolecularWeight: 402.435906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H20F2N2O/c26-21-9-5-17(6-10-21)23(18-7-11-22(27)12-8-18)13-14-28-25(30)24-15-19-3-1-2-4-20(19)16-29-24/h1-12,15-16,23H,13-14H2,(H,28,30)