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

Systemtic Name: N-(2-azanylethyl)-1-(4-chlorophenyl)carbonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-chlorophenyl)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-chlorobenzoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H22ClFN4O3 MolecularWeight: 432.875783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN4O3/c22-16-7-5-14(6-8-16)20(29)26-11-2-12-27(19(26)18(28)25-10-9-24)21(30)15-3-1-4-17(23)13-15/h1,3-8,13,19H,2,9-12,24H2,(H,25,28)