(phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-azanylethylcarbamoyl)-3-(4-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-aminoethylcarbamoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(4-fluorobenzoyl)hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O4/c23-18-9-7-17(8-10-18)21(29)26-13-4-14-27(20(26)19(28)25-12-11-24)22(30)31-15-16-5-2-1-3-6-16/h1-3,5-10,20H,4,11-15,24H2,(H,25,28)