N-(3-fluorophenyl)-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-fluorophenyl)-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(3-fluorophenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-fluorophenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C17H18FN5O2 MolecularWeight: 343.355523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)C3=CN=CN=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)F)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C17H18FN5O2/c18-14-3-1-4-15(9-14)21-17(25)23-6-2-5-22(7-8-23)16(24)13-10-19-12-20-11-13/h1,3-4,9-12H,2,5-8H2,(H,21,25)