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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN4O3/c22-16-6-2-14(3-7-16)20(29)26-12-1-13-27(19(26)18(28)25-11-10-24)21(30)15-4-8-17(23)9-5-15/h2-9,19H,1,10-13,24H2,(H,25,28)