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

Systemtic Name: phenyl 2-(2-azanylethylcarbamoyl)-3-(3-fluorophenyl)carbonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[(2-aminoethylamino)-oxomethyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-aminoethylcarbamoyl)-3-(3-fluorobenzoyl)-1,3-diazinane-1-carboxylate Traditional Name: 2-(2-aminoethylcarbamoyl)-3-(3-fluorobenzoyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(N(C1)C(=O)OC2=CC=CC=C2)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O4/c22-16-7-4-6-15(14-16)20(28)25-12-5-13-26(19(25)18(27)24-11-10-23)21(29)30-17-8-2-1-3-9-17/h1-4,6-9,14,19H,5,10-13,23H2,(H,24,27)