N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-chloranylpyridin-3-yl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2-chloro-3-pyridinyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2-chloropyridine-3-carbonyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-chloronicotinoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C20H21ClFN5O3 MolecularWeight: 433.863843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN5O3/c21-16-15(6-2-8-24-16)20(30)27-11-3-10-26(18(27)17(28)25-9-7-23)19(29)13-4-1-5-14(22)12-13/h1-2,4-6,8,12,18H,3,7,9-11,23H2,(H,25,28)