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

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

Isomeric SMILES

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

InChI

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