(2S,3S)-2-azanyl-1-[(3S)-3-fluoranylpyrrolidin-1-yl]-3-(4-quinolin-6-ylphenyl)butan-1-one

Systemtic Name: (2S,3S)-2-azanyl-1-[(3S)-3-fluoranylpyrrolidin-1-yl]-3-(4-quinolin-6-ylphenyl)butan-1-one Openeye Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(6-quinolyl)phenyl]butan-1-one CAS Name: (2S,3S)-2-amino-1-[(3S)-3-fluoro-1-pyrrolidinyl]-3-[4-(6-quinolinyl)phenyl]-1-butanone IUPAC Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-quinolin-6-ylphenyl)butan-1-one Traditional Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidino]-3-[4-(6-quinolyl)phenyl]butan-1-one Formula: C23H24FN3O MolecularWeight: 377.454563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CC=C3)C(C(=O)N4CCC(C4)F)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=CC3=C(C=C2)N=CC=C3)[C@@H](C(=O)N4CC[C@@H](C4)F)N

InChI

InChI=1S/C23H24FN3O/c1-15(22(25)23(28)27-12-10-20(24)14-27)16-4-6-17(7-5-16)18-8-9-21-19(13-18)3-2-11-26-21/h2-9,11,13,15,20,22H,10,12,14,25H2,1H3/t15-,20-,22-/m0/s1