N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[(4S)-chroman-4-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[(4S)-chroman-4-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H20FN3O2 MolecularWeight: 413.443603

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C25H20FN3O2/c26-18-12-10-17(11-13-18)24-21(16-29(28-24)19-6-2-1-3-7-19)25(30)27-22-14-15-31-23-9-5-4-8-20(22)23/h1-13,16,22H,14-15H2,(H,27,30)/t22-/m0/s1