3-azanyl-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-fluorophenyl)-4-azepanyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazinamide Formula: C18H22FN5O MolecularWeight: 343.398583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

Isomeric SMILES

C1CC(CCNC1)(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H22FN5O/c19-14-4-1-3-13(11-14)18(5-2-7-21-8-6-18)12-24-17(25)15-16(20)23-10-9-22-15/h1,3-4,9-11,21H,2,5-8,12H2,(H2,20,23)(H,24,25)