phenanthridin-6-ylmethyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: phenanthridin-6-ylmethyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid phenanthridin-6-ylmethyl ester Formula: C27H22F2N2O3 MolecularWeight: 460.471986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=C(C=C(C=C5)F)F

InChI

InChI=1S/C27H22F2N2O3/c28-18-9-10-22(23(29)15-18)26(32)31-13-11-17(12-14-31)27(33)34-16-25-21-7-2-1-5-19(21)20-6-3-4-8-24(20)30-25/h1-10,15,17H,11-14,16H2