N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(6-chloranylpyridin-3-yl)carbonyl-3-(4-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(6-chloro-3-pyridinyl)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(6-chloropyridine-3-carbonyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(6-chloronicotinoyl)-3-(4-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=CN=C(C=C2)Cl)C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN5O3/c21-16-7-4-14(12-25-16)20(30)27-11-1-10-26(18(27)17(28)24-9-8-23)19(29)13-2-5-15(22)6-3-13/h2-7,12,18H,1,8-11,23H2,(H,24,28)