N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-3-pyridin-3-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-(pyridine-3-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-3-[oxo(3-pyridinyl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-nicotinoyl-hexahydropyrimidine-2-carboxamide Formula: C20H22FN5O3 MolecularWeight: 399.418783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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