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

Systemtic Name: (2S,3S)-2-azanyl-1-[(3S)-3-fluoranylpyrrolidin-1-yl]-3-(4-pyrazin-2-ylphenyl)butan-1-one Openeye Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-pyrazin-2-ylphenyl)butan-1-one CAS Name: (2S,3S)-2-amino-1-[(3S)-3-fluoro-1-pyrrolidinyl]-3-[4-(2-pyrazinyl)phenyl]-1-butanone IUPAC Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-(4-pyrazin-2-ylphenyl)butan-1-one Traditional Name: (2S,3S)-2-amino-1-[(3S)-3-fluoropyrrolidino]-3-(4-pyrazin-2-ylphenyl)butan-1-one Formula: C18H21FN4O MolecularWeight: 328.383943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=NC=CN=C2)C(C(=O)N3CCC(C3)F)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=NC=CN=C2)[C@@H](C(=O)N3CC[C@@H](C3)F)N

InChI

InChI=1S/C18H21FN4O/c1-12(17(20)18(24)23-9-6-15(19)11-23)13-2-4-14(5-3-13)16-10-21-7-8-22-16/h2-5,7-8,10,12,15,17H,6,9,11,20H2,1H3/t12-,15-,17-/m0/s1