N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-fluorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-fluorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-fluorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C20H22FN5O3 MolecularWeight: 399.418783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CN=CC=C2)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN5O3/c21-16-6-1-4-14(12-16)19(28)25-10-3-11-26(18(25)17(27)24-9-7-22)20(29)15-5-2-8-23-13-15/h1-2,4-6,8,12-13,18H,3,7,9-11,22H2,(H,24,27)