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

Systemtic Name: N-(2-azanylethyl)-1-(4-fluorophenyl)carbonyl-3-pyridin-4-ylcarbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-(pyridine-4-carbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-fluorophenyl)-oxomethyl]-3-[oxo(pyridin-4-yl)methyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-(pyridine-4-carbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-fluorobenzoyl)-3-isonicotinoyl-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=CC=NC=C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5O3/c21-16-4-2-14(3-5-16)19(28)25-12-1-13-26(18(25)17(27)24-11-8-22)20(29)15-6-9-23-10-7-15/h2-7,9-10,18H,1,8,11-13,22H2,(H,24,27)