N-[(2S)-butan-2-yl]-N-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]pyrazine-2-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-N-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]pyrazine-2-carboxamide Openeye Name: N-[3-(2-fluoroanilino)-3-oxo-propyl]-N-[(1S)-1-methylpropyl]pyrazine-2-carboxamide CAS Name: N-[(2S)-butan-2-yl]-N-[3-(2-fluoroanilino)-3-oxopropyl]-2-pyrazinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-N-[3-(2-fluoroanilino)-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-[3-(2-fluoroanilino)-3-keto-propyl]-N-[(1S)-1-methylpropyl]pyrazinamide Formula: C18H21FN4O2 MolecularWeight: 344.383343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)NC1=CC=CC=C1F)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC[C@H](C)N(CCC(=O)NC1=CC=CC=C1F)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H21FN4O2/c1-3-13(2)23(18(25)16-12-20-9-10-21-16)11-8-17(24)22-15-7-5-4-6-14(15)19/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,22,24)/t13-/m0/s1